2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide

C22H17N3O — CID 5113014

IUPAC2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)c1
InChIInChI=1S/C22H17N3O/c1-15-7-6-8-16(13-15)20-14-18(17-9-2-3-10-19(17)24-20)22(26)25-21-11-4-5-12-23-21/h2-14H,1H3,(H,23,25,26)
InChIKeyMUUWFCOURBWHJT-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds3

About 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide

2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 5113014) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
PubChem CID5113014
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)c1
InChIInChI=1S/C22H17N3O/c1-15-7-6-8-16(13-15)20-14-18(17-9-2-3-10-19(17)24-20)22(26)25-21-11-4-5-12-23-21/h2-14H,1H3,(H,23,25,26)
InChIKeyMUUWFCOURBWHJT-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3663866
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
2-(3-propan-2-yloxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 2220820
N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5239523
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide (CID 5113014) is 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccccn3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is MUUWFCOURBWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-7-6-8-16(13-15)20-14-18(17-9-2-3-10-19(17)24-20)22(26)25-21-11-4-5-12-23-21/h2-14H,1H3,(H,23,25,26).
What are the key properties of 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide?
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 5113014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).