2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide

C28H24ClN3O3 — CID 177319795

IUPAC2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide
SMILESC=C(O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C28H24ClN3O3/c1-16-12-17(2)26-22(13-16)23(14-25(32-26)21-6-4-5-7-24(21)29)28(35)31-20-10-8-19(9-11-20)27(34)30-15-18(3)33/h4-14,33H,3,15H2,1-2H3,(H,30,34)(H,31,35)
InChIKeySLVAGUBTFBCXCG-UHFFFAOYSA-N
MW485.97 g/mol
LogP6.23
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide

2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide (PubChem CID 177319795) has the molecular formula C28H24ClN3O3 and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide
PubChem CID177319795
Molecular FormulaC28H24ClN3O3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC Name2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide
SMILESC=C(O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3c(C)cc(C)cc23)cc1
InChIInChI=1S/C28H24ClN3O3/c1-16-12-17(2)26-22(13-16)23(14-25(32-26)21-6-4-5-7-24(21)29)28(35)31-20-10-8-19(9-11-20)27(34)30-15-18(3)33/h4-14,33H,3,15H2,1-2H3,(H,30,34)(H,31,35)
InChIKeySLVAGUBTFBCXCG-UHFFFAOYSA-N
XLogP6.23
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-6,8-dimethyl-N-[4-[3-(5-methyl-1,3-oxazol-2-yl)propylcarbamoyl]phenyl]quinoline-4-carboxamide
CID 177320262
2-(2-chlorophenyl)-6,8-dimethyl-N-[4-[[(E)-C-methyl-N-[(E)-3-methylbutan-2-ylideneamino]carbonimidoyl]carbamoyl]phenyl]quinoline-4-carboxamide
CID 177319891
2-(2-chlorophenyl)-6,8-dimethyl-N-[4-[methyl-[3-(propan-2-ylideneamino)oxybut-3-enyl]carbamoyl]phenyl]quinoline-4-carboxamide
CID 177320138
6,8-dimethyl-N-[4-[2-(2-methylprop-1-enoxy)prop-2-enylcarbamoyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320161
N-[4-[(2-aminocyclohexene-1-carbonyl)carbamoyl]phenyl]-6,8-dimethyl-2-(2-methylphenyl)quinoline-4-carboxamide
CID 177319699
N-[4-[(2-ethenylsulfanyl-3-methylbut-2-enyl)carbamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 177320110
2-(2-chlorophenyl)-6,8-dimethyl-N-[5-[2-(2-methyl-1,3-oxazol-5-yl)ethylcarbamoyl]-2-pyridinyl]quinoline-4-carboxamide
CID 177319702
2-(2-chlorophenyl)-N-[3-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]phenyl]-6,8-dimethylquinoline-4-carboxamide
CID 177319759
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
6,8-dimethyl-N-[4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 177319770
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide (CID 177319795) is 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide is C=C(O)CNC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3c(C)cc(C)cc23)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is SLVAGUBTFBCXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3/c1-16-12-17(2)26-22(13-16)23(14-25(32-26)21-6-4-5-7-24(21)29)28(35)31-20-10-8-19(9-11-20)27(34)30-15-18(3)33/h4-14,33H,3,15H2,1-2H3,(H,30,34)(H,31,35).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide?
2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 6.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(2-hydroxyprop-2-enylcarbamoyl)phenyl]-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 177319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).