N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide

C22H15ClN4O2 — CID 166212360

IUPACN-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1
InChIInChI=1S/C22H15ClN4O2/c23-16-8-3-1-7-14(16)19-12-15(13-6-2-4-9-17(13)25-19)22(29)27-20-11-5-10-18(26-20)21(24)28/h1-12H,(H2,24,28)(H,26,27,29)
InChIKeyCDCPGUVJRARSRT-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.30
Rot. Bonds4

About N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide

N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide (PubChem CID 166212360) has the molecular formula C22H15ClN4O2 and a molecular weight of 402.84 g/mol. Its IUPAC name is N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
PubChem CID166212360
Molecular FormulaC22H15ClN4O2
Molecular Weight402.84 g/mol
Exact Mass402.09
IUPAC NameN-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1
InChIInChI=1S/C22H15ClN4O2/c23-16-8-3-1-7-14(16)19-12-15(13-6-2-4-9-17(13)25-19)22(29)27-20-11-5-10-18(26-20)21(24)28/h1-12H,(H2,24,28)(H,26,27,29)
InChIKeyCDCPGUVJRARSRT-UHFFFAOYSA-N
XLogP4.30
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1220548
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 3599973
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
CID 4500720

Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide (CID 166212360) is N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide is NC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1.
What is the InChIKey of N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is CDCPGUVJRARSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2/c23-16-8-3-1-7-14(16)19-12-15(13-6-2-4-9-17(13)25-19)22(29)27-20-11-5-10-18(26-20)21(24)28/h1-12H,(H2,24,28)(H,26,27,29).
What are the key properties of N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide?
N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 402.84 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-2-pyridinyl)-2-(2-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 166212360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).