9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

C20H16Cl2N2O2 — CID 46257955

IUPAC9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cc1Cl
InChIInChI=1S/C20H16Cl2N2O2/c1-26-18-8-6-12(10-15(18)21)23-20(25)11-5-7-14-17(9-11)24-16-4-2-3-13(16)19(14)22/h5-10H,2-4H2,1H3,(H,23,25)
InChIKeyVEQHXWVLJJSHLV-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.29
Rot. Bonds3

About 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide

9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (PubChem CID 46257955) has the molecular formula C20H16Cl2N2O2 and a molecular weight of 387.27 g/mol. Its IUPAC name is 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
PubChem CID46257955
Molecular FormulaC20H16Cl2N2O2
Molecular Weight387.27 g/mol
Exact Mass386.06
IUPAC Name9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cc1Cl
InChIInChI=1S/C20H16Cl2N2O2/c1-26-18-8-6-12(10-15(18)21)23-20(25)11-5-7-14-17(9-11)24-16-4-2-3-13(16)19(14)22/h5-10H,2-4H2,1H3,(H,23,25)
InChIKeyVEQHXWVLJJSHLV-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
9-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 6620100
N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256249
9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
9-chloro-N-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866074
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The IUPAC name of 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide (CID 46257955) is 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide.
What is the SMILES notation for 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The canonical SMILES for 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cc1Cl.
What is the InChIKey of 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
The InChIKey is VEQHXWVLJJSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O2/c1-26-18-8-6-12(10-15(18)21)23-20(25)11-5-7-14-17(9-11)24-16-4-2-3-13(16)19(14)22/h5-10H,2-4H2,1H3,(H,23,25).
What are the key properties of 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide?
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide is sourced from PubChem (CID 46257955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).