6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C29H24FN3O4 — CID 162170313

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1ccc(F)cc1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C29H24FN3O4/c1-17-28(18(2)37-32-17)24-14-20-13-23(26(34)12-19-7-9-21(30)10-8-19)29(35)33(25(20)15-27(24)36-3)16-22-6-4-5-11-31-22/h4-11,13-15H,12,16H2,1-3H3
InChIKeyZNRUUWZLNDVSRT-UHFFFAOYSA-N
MW497.53 g/mol
LogP5.29
Rot. Bonds7

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 162170313) has the molecular formula C29H24FN3O4 and a molecular weight of 497.53 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID162170313
Molecular FormulaC29H24FN3O4
Molecular Weight497.53 g/mol
Exact Mass497.18
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1ccc(F)cc1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C29H24FN3O4/c1-17-28(18(2)37-32-17)24-14-20-13-23(26(34)12-19-7-9-21(30)10-8-19)29(35)33(25(20)15-27(24)36-3)16-22-6-4-5-11-31-22/h4-11,13-15H,12,16H2,1-3H3
InChIKeyZNRUUWZLNDVSRT-UHFFFAOYSA-N
XLogP5.29
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.53
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 159154884
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232448
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]acetonitrile;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]-N-hydrazinylideneethanimidamide
CID 159166031
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]quinolin-2-one
CID 177247561
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 118232414
6-bromo-2-chloro-7-methoxyquinoline-3-carbaldehyde;4-bromo-3-methoxyaniline;7-bromo-6-methoxy-3-oxo-4H-naphthalene-2-carbaldehyde;6-bromo-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;1-(4-bromo-3-methoxyphenyl)propan-2-one;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carbaldehyde;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 159136512
6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)-3,4-dihydroquinolin-2-one
CID 118224630
8-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 135203476
6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 140936470
2-[1-[2-(4-chlorophenyl)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxoquinolin-3-yl]acetonitrile
CID 118224754
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
4-[8-methoxy-1-(pyridin-2-ylmethyl)triazolo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 52932859

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 162170313) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)cc(C(=O)Cc1ccc(F)cc1)c(=O)n2Cc1ccccn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is ZNRUUWZLNDVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O4/c1-17-28(18(2)37-32-17)24-14-20-13-23(26(34)12-19-7-9-21(30)10-8-19)29(35)33(25(20)15-27(24)36-3)16-22-6-4-5-11-31-22/h4-11,13-15H,12,16H2,1-3H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 497.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)acetyl]-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 162170313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).