2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

C24H21N3O — CID 4060767

IUPAC2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)n1
InChIInChI=1S/C24H21N3O/c1-15-11-12-18(13-16(15)2)22-14-20(19-8-4-5-9-21(19)26-22)24(28)27-23-10-6-7-17(3)25-23/h4-14H,1-3H3,(H,25,27,28)
InChIKeyZABKJSGYNUUXOK-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.47
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 4060767) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID4060767
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)n1
InChIInChI=1S/C24H21N3O/c1-15-11-12-18(13-16(15)2)22-14-20(19-8-4-5-9-21(19)26-22)24(28)27-23-10-6-7-17(3)25-23/h4-14H,1-3H3,(H,25,27,28)
InChIKeyZABKJSGYNUUXOK-UHFFFAOYSA-N
XLogP5.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 18206028
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
CID 70789439
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
N-(4-bromo-2-fluorophenyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 4685628
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3663866
2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
CID 4114426
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5054651

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 4060767) is 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)n1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is ZABKJSGYNUUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-15-11-12-18(13-16(15)2)22-14-20(19-8-4-5-9-21(19)26-22)24(28)27-23-10-6-7-17(3)25-23/h4-14H,1-3H3,(H,25,27,28).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 4060767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).