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1-benzyl-3-(pyridin-2-ylmethyl)-8-(quinolin-7-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 340526
Molecular Formular: C30H29N5O2
Molecular Mass: 491.58356
Monoisotopic Mass: 491.23212519
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc2ncccc2cc1)Cc1ccccc1)Cc1ncccc1
Canonical SMILES:
O=C1N(Cc2ccccn2)C(=O)C2(N1Cc1ccccc1)CCN(CC2)Cc1ccc2c(c1)nccc2
InChI:
InChI=1S/C30H29N5O2/c36-28-30(13-17-33(18-14-30)20-24-11-12-25-9-6-16-32-27(25)19-24)35(21-23-7-2-1-3-8-23)29(37)34(28)22-26-10-4-5-15-31-26/h1-12,15-16,19H,13-14,17-18,20-22H2
InChIKey:
ONMPISNDBZWUIV-UHFFFAOYSA-N

Cite this record

CBID:340526 http://www.chembase.cn/molecule-340526.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-3-(pyridin-2-ylmethyl)-8-(quinolin-7-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
1-benzyl-3-(pyridin-2-ylmethyl)-8-(quinolin-7-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
1-benzyl-3-(2-pyridinylmethyl)-8-(7-quinolinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.36465997  LogD (pH = 7.4) 2.0700393 
Log P 3.4469583  Molar Refractivity 141.4104 cm3
Polarizability 56.15002 Å3 Polar Surface Area 69.64 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.65  LOG S -5.03 
Polar Surface Area 69.64 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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