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

C23H18ClN3O — CID 126593946

IUPAC4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(N)=O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C23H18ClN3O/c1-13-11-19-22(14(2)21(13)15-7-9-26-10-8-15)17(12-20(27-19)23(25)28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H2,25,28)
InChIKeyKIJNGJXIDZVGIO-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.33
Rot. Bonds3

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

4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (PubChem CID 126593946) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
PubChem CID126593946
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(N)=O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C23H18ClN3O/c1-13-11-19-22(14(2)21(13)15-7-9-26-10-8-15)17(12-20(27-19)23(25)28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H2,25,28)
InChIKeyKIJNGJXIDZVGIO-UHFFFAOYSA-N
XLogP5.33
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (CID 126593946) is 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is Cc1cc2nc(C(N)=O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The InChIKey is KIJNGJXIDZVGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-13-11-19-22(14(2)21(13)15-7-9-26-10-8-15)17(12-20(27-19)23(25)28)16-5-3-4-6-18(16)24/h3-12H,1-2H3,(H2,25,28).
What are the key properties of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 126593946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).