N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide

C20H17ClN2O3 — CID 46267699

IUPACN-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCC4)cc1Cl
InChIInChI=1S/C20H17ClN2O3/c1-26-17-9-8-11(10-15(17)21)22-20(25)14-6-2-5-13-18(14)23-16-7-3-4-12(16)19(13)24/h2,5-6,8-10H,3-4,7H2,1H3,(H,22,25)(H,23,24)
InChIKeyMVQGIFYJBXCUQK-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.93
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide (PubChem CID 46267699) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide
PubChem CID46267699
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCC4)cc1Cl
InChIInChI=1S/C20H17ClN2O3/c1-26-17-9-8-11(10-15(17)21)22-20(25)14-6-2-5-13-18(14)23-16-7-3-4-12(16)19(13)24/h2,5-6,8-10H,3-4,7H2,1H3,(H,22,25)(H,23,24)
InChIKeyMVQGIFYJBXCUQK-UHFFFAOYSA-N
XLogP3.93
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408
N-(3,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34985328
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55644369
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
CID 46416882
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
N-(3-chloro-4-methoxyphenyl)-2-(8-fluoro-6-methyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53114170
N-(3-chloro-4-methoxyphenyl)-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 110295978
5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362374

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide (CID 46267699) is N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide is COc1ccc(NC(=O)c2cccc3c(=O)c4c([nH]c23)CCC4)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide?
The InChIKey is MVQGIFYJBXCUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-26-17-9-8-11(10-15(17)21)22-20(25)14-6-2-5-13-18(14)23-16-7-3-4-12(16)19(13)24/h2,5-6,8-10H,3-4,7H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-5-carboxamide is sourced from PubChem (CID 46267699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).