N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide

C24H19ClN2O — CID 10667910

IUPACN-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide
SMILESCc1c(C(=O)N(C)c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3
InChIKeyVITHAIPHWHWXDX-UHFFFAOYSA-N
MW386.88 g/mol
LogP6.14
Rot. Bonds3

About N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide

N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide (PubChem CID 10667910) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide
PubChem CID10667910
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC NameN-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide
SMILESCc1c(C(=O)N(C)c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3
InChIKeyVITHAIPHWHWXDX-UHFFFAOYSA-N
XLogP6.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide (CID 10667910) is N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide is Cc1c(C(=O)N(C)c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
The InChIKey is VITHAIPHWHWXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquinoline-2-carboxamide is sourced from PubChem (CID 10667910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).