3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one

C25H23N3O2 — CID 143465593

IUPAC3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one
SMILESCc1cccc(Cn2cc(C(=O)c3ccc(N(C)C)nc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C25H23N3O2/c1-17-7-6-8-18(13-17)15-28-16-21(25(30)20-9-4-5-10-22(20)28)24(29)19-11-12-23(26-14-19)27(2)3/h4-14,16H,15H2,1-3H3
InChIKeyFZLQQRZZFPYJIO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.05
Rot. Bonds5

About 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one

3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one (PubChem CID 143465593) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one
PubChem CID143465593
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one
SMILESCc1cccc(Cn2cc(C(=O)c3ccc(N(C)C)nc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C25H23N3O2/c1-17-7-6-8-18(13-17)15-28-16-21(25(30)20-9-4-5-10-22(20)28)24(29)19-11-12-23(26-14-19)27(2)3/h4-14,16H,15H2,1-3H3
InChIKeyFZLQQRZZFPYJIO-UHFFFAOYSA-N
XLogP4.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(2-methylpyridine-4-carbonyl)quinolin-4-one;3-(2-methylpyridine-4-carbonyl)-1H-quinolin-4-one
CID 161491228
1-[(3-chlorophenyl)methyl]-3-(6-chloropyridine-3-carbonyl)quinolin-4-one;1-[(3-chlorophenyl)methyl]-3-(6-methoxypyridine-3-carbonyl)quinolin-4-one
CID 159979486
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
3-[6-(dimethylamino)pyridine-3-carbonyl]-6,7-dimethoxy-1-[(4-methylperoxysulfanylphenyl)methyl]quinolin-4-one
CID 58810162
3-(3,4-dimethylbenzoyl)-1-(1,3-thiazol-4-ylmethyl)quinolin-4-one
CID 16730934
7-(4-chlorobenzoyl)-5-[(3-methylphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 20864638
3-(3,4-dimethylbenzoyl)-1-(pyrimidin-2-ylmethyl)quinolin-4-one
CID 16731247
3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid
CID 70830776
3-(5,6-dimethylpyridine-3-carbonyl)-1-[[6-(1,3-oxazol-2-yl)-2-pyridinyl]methyl]quinolin-4-one
CID 16731093
6-methoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136065
3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methylquinolin-4-one
CID 20864529
1-[(6-bromo-2-pyridinyl)methyl]-3-[3-(dimethylamino)benzoyl]quinolin-4-one;1-[(6-bromo-2-pyridinyl)methyl]-N-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
CID 160900891

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one?
The IUPAC name of 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one (CID 143465593) is 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one is Cc1cccc(Cn2cc(C(=O)c3ccc(N(C)C)nc3)c(=O)c3ccccc32)c1.
What is the InChIKey of 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one?
The InChIKey is FZLQQRZZFPYJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-7-6-8-18(13-17)15-28-16-21(25(30)20-9-4-5-10-22(20)28)24(29)19-11-12-23(26-14-19)27(2)3/h4-14,16H,15H2,1-3H3.
What are the key properties of 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one?
3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one has a molecular weight of 397.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one is sourced from PubChem (CID 143465593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).