N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C23H18FN3O — CID 1257011

IUPACN-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(F)cc3C)c2c1
InChIInChI=1S/C23H18FN3O/c1-14-3-5-21-18(11-14)19(13-22(26-21)16-7-9-25-10-8-16)23(28)27-20-6-4-17(24)12-15(20)2/h3-13H,1-2H3,(H,27,28)
InChIKeyPQJCIKMJIGQGRW-UHFFFAOYSA-N
MW371.42 g/mol
LogP5.31
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1257011) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1257011
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(F)cc3C)c2c1
InChIInChI=1S/C23H18FN3O/c1-14-3-5-21-18(11-14)19(13-22(26-21)16-7-9-25-10-8-16)23(28)27-20-6-4-17(24)12-15(20)2/h3-13H,1-2H3,(H,27,28)
InChIKeyPQJCIKMJIGQGRW-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 1257011) is N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccncc3)cc(C(=O)Nc3ccc(F)cc3C)c2c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is PQJCIKMJIGQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-14-3-5-21-18(11-14)19(13-22(26-21)16-7-9-25-10-8-16)23(28)27-20-6-4-17(24)12-15(20)2/h3-13H,1-2H3,(H,27,28).
What are the key properties of N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1257011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).