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

C25H21ClN2O — CID 10763549

IUPACN-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H21ClN2O/c1-17-23(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27-24(17)25(29)28(2)16-18-12-14-20(26)15-13-18/h3-15H,16H2,1-2H3
InChIKeyHKZWJVCBVZSLQM-UHFFFAOYSA-N
MW400.91 g/mol
LogP6.14
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide (PubChem CID 10763549) has the molecular formula C25H21ClN2O and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide
PubChem CID10763549
Molecular FormulaC25H21ClN2O
Molecular Weight400.91 g/mol
Exact Mass400.13
IUPAC NameN-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C25H21ClN2O/c1-17-23(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27-24(17)25(29)28(2)16-18-12-14-20(26)15-13-18/h3-15H,16H2,1-2H3
InChIKeyHKZWJVCBVZSLQM-UHFFFAOYSA-N
XLogP6.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
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)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide (CID 10763549) is N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
The InChIKey is HKZWJVCBVZSLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O/c1-17-23(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27-24(17)25(29)28(2)16-18-12-14-20(26)15-13-18/h3-15H,16H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-phenylquinoline-2-carboxamide is sourced from PubChem (CID 10763549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).