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146724-32-5 molecular structure
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methyl 1H-pyrrolo[3,2-h]quinoline-2-carboxylate

ChemBase ID: 292926
Molecular Formular: C13H10N2O2
Molecular Mass: 226.2307
Monoisotopic Mass: 226.07422757
SMILES and InChIs

SMILES:
COC(=O)c1cc2c([nH]1)c1c(cccn1)cc2
Canonical SMILES:
COC(=O)c1cc2c([nH]1)c1ncccc1cc2
InChI:
InChI=1S/C13H10N2O2/c1-17-13(16)10-7-9-5-4-8-3-2-6-14-11(8)12(9)15-10/h2-7,15H,1H3
InChIKey:
GEODGDMMLTYIFV-UHFFFAOYSA-N

Cite this record

CBID:292926 http://www.chembase.cn/molecule-292926.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1H-pyrrolo[3,2-h]quinoline-2-carboxylate
IUPAC Traditional name
methyl 1H-pyrrolo[3,2-h]quinoline-2-carboxylate
Synonyms
Methyl 1H-pyrrolo[3,2-h]quinoline-2-carboxylate
CAS Number
146724-32-5
MDL Number
MFCD00214439
PubChem SID
180678457
PubChem CID
154605

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241805 Please log in.
Data Source Data ID
PubChem 154605 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.914375  H Acceptors
H Donor LogD (pH = 5.5) 2.083392 
LogD (pH = 7.4) 2.1510177  Log P 2.1531405 
Molar Refractivity 62.9686 cm3 Polarizability 26.62557 Å3
Polar Surface Area 54.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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