4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide

C25H22ClN3O2 — CID 126593951

IUPAC4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCCO)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H22ClN3O2/c1-15-13-21-24(16(2)23(15)17-7-9-27-10-8-17)19(18-5-3-4-6-20(18)26)14-22(29-21)25(31)28-11-12-30/h3-10,13-14,30H,11-12H2,1-2H3,(H,28,31)
InChIKeyCLAJGYWUBLDEJB-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.96
Rot. Bonds5

About 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide

4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (PubChem CID 126593951) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
PubChem CID126593951
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCCO)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H22ClN3O2/c1-15-13-21-24(16(2)23(15)17-7-9-27-10-8-17)19(18-5-3-4-6-20(18)26)14-22(29-21)25(31)28-11-12-30/h3-10,13-14,30H,11-12H2,1-2H3,(H,28,31)
InChIKeyCLAJGYWUBLDEJB-UHFFFAOYSA-N
XLogP4.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Dichlorophenyl)formamido]-3-[2-(pyridin-4-yl)quinolin-6-yl]propanoic acid
CID 10389798
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
2-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1223053
7-(2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)ethyl)-N-methylisoquinoline-3-carboxamide
CID 11430860
4-(2-chlorophenyl)-N-(2-dimethylaminoethyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126594040
FadD32 Inhibitor-1
CID 126594078
2-(3,4-dimethylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1022757
methyl N-{[7-chloro-8-methyl-2-(4-pyridinyl)-4-quinolinyl]carbonyl}glycinate
CID 1257142
2-(2-chlorophenyl)-N-(2-pyridinylmethyl)-4-quinolinecarboxamide
CID 2164483
ethyl N-{[7-chloro-8-methyl-2-(2-pyridinyl)-4-quinolinyl]carbonyl}glycinate
CID 2221194
2-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 2537344
N-(2-Chloro-5,7-dimethyl-quinolin-3-ylmethyl)-4-fluoro-N-pyridin-3-ylmethyl-benzamide
CID 3216907

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (CID 126593951) is 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is Cc1cc2nc(C(=O)NCCO)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The InChIKey is CLAJGYWUBLDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-15-13-21-24(16(2)23(15)17-7-9-27-10-8-17)19(18-5-3-4-6-20(18)26)14-22(29-21)25(31)28-11-12-30/h3-10,13-14,30H,11-12H2,1-2H3,(H,28,31).
What are the key properties of 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 126593951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).