2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

C24H21N3O2 — CID 42750052

IUPAC2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccncc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C24H21N3O2/c1-16-6-7-22-20(12-16)21(24(28)26-15-17-8-10-25-11-9-17)14-23(27-22)18-4-3-5-19(13-18)29-2/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyHDFMZPYPQNFWHB-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.54
Rot. Bonds5

About 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (PubChem CID 42750052) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
PubChem CID42750052
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccncc3)c3cc(C)ccc3n2)c1
InChIInChI=1S/C24H21N3O2/c1-16-6-7-22-20(12-16)21(24(28)26-15-17-8-10-25-11-9-17)14-23(27-22)18-4-3-5-19(13-18)29-2/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyHDFMZPYPQNFWHB-UHFFFAOYSA-N
XLogP4.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
2-(4-ethoxyphenyl)-6-methyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 998766
N-[(5-bromo-2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798336
1-[(3S)-1,1-dioxothiolan-3-yl]-6-(3-methoxyphenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461712

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (CID 42750052) is 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccncc3)c3cc(C)ccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The InChIKey is HDFMZPYPQNFWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16-6-7-22-20(12-16)21(24(28)26-15-17-8-10-25-11-9-17)14-23(27-22)18-4-3-5-19(13-18)29-2/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 42750052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).