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

C24H20ClN3O — CID 126594078

IUPAC4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1
InChIInChI=1S/C24H20ClN3O/c1-14-12-20-23(15(2)22(14)16-8-10-27-11-9-16)18(13-21(28-20)24(29)26-3)17-6-4-5-7-19(17)25/h4-13H,1-3H3,(H,26,29)
InChIKeyKUVKRNSXKFMYHY-UHFFFAOYSA-N
MW401.90 g/mol
LogP5.59
Rot. Bonds3

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

4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide (PubChem CID 126594078) has the molecular formula C24H20ClN3O and a molecular weight of 401.90 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide
PubChem CID126594078
Molecular FormulaC24H20ClN3O
Molecular Weight401.90 g/mol
Exact Mass401.13
IUPAC Name4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1
InChIInChI=1S/C24H20ClN3O/c1-14-12-20-23(15(2)22(14)16-8-10-27-11-9-16)18(13-21(28-20)24(29)26-3)17-6-4-5-7-19(17)25/h4-13H,1-3H3,(H,26,29)
InChIKeyKUVKRNSXKFMYHY-UHFFFAOYSA-N
XLogP5.59
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.90
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide (CID 126594078) is 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide is CNC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1.
What is the InChIKey of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The InChIKey is KUVKRNSXKFMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O/c1-14-12-20-23(15(2)22(14)16-8-10-27-11-9-16)18(13-21(28-20)24(29)26-3)17-6-4-5-7-19(17)25/h4-13H,1-3H3,(H,26,29).
What are the key properties of 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N,5,7-trimethyl-6-pyridin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 126594078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).