2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide

C20H17ClN2O — CID 841557

IUPAC2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CC1
InChIInChI=1S/C20H17ClN2O/c1-12-18(20(24)22-15-9-10-15)16-7-2-3-8-17(16)23-19(12)13-5-4-6-14(21)11-13/h2-8,11,15H,9-10H2,1H3,(H,22,24)
InChIKeyQBZSFHYSVBGIST-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.76
Rot. Bonds3

About 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide

2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide (PubChem CID 841557) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide
PubChem CID841557
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CC1
InChIInChI=1S/C20H17ClN2O/c1-12-18(20(24)22-15-9-10-15)16-7-2-3-8-17(16)23-19(12)13-5-4-6-14(21)11-13/h2-8,11,15H,9-10H2,1H3,(H,22,24)
InChIKeyQBZSFHYSVBGIST-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide (CID 841557) is 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide is Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NC1CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide?
The InChIKey is QBZSFHYSVBGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-12-18(20(24)22-15-9-10-15)16-7-2-3-8-17(16)23-19(12)13-5-4-6-14(21)11-13/h2-8,11,15H,9-10H2,1H3,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide?
2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclopropyl-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 841557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).