2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide

C22H17ClN4O2 — CID 166364697

IUPAC2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1
InChIInChI=1S/C22H17ClN4O2/c1-13-11-20(29-2)26-22(24-13)27-21(28)16-12-19(15-8-3-5-9-17(15)23)25-18-10-6-4-7-14(16)18/h3-12H,1-2H3,(H,24,26,27,28)
InChIKeyQXOWDQFEOGVPNM-UHFFFAOYSA-N
MW404.86 g/mol
LogP4.91
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide

2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide (PubChem CID 166364697) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide
PubChem CID166364697
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1
InChIInChI=1S/C22H17ClN4O2/c1-13-11-20(29-2)26-22(24-13)27-21(28)16-12-19(15-8-3-5-9-17(15)23)25-18-10-6-4-7-14(16)18/h3-12H,1-2H3,(H,24,26,27,28)
InChIKeyQXOWDQFEOGVPNM-UHFFFAOYSA-N
XLogP4.91
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 2164864
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
methyl 4-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]butanoate
CID 30591047
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 3599973
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
ethyl 2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4150303

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide (CID 166364697) is 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide is COc1cc(C)nc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide?
The InChIKey is QXOWDQFEOGVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-13-11-20(29-2)26-22(24-13)27-21(28)16-12-19(15-8-3-5-9-17(15)23)25-18-10-6-4-7-14(16)18/h3-12H,1-2H3,(H,24,26,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide?
2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 166364697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).