6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one

C25H19ClN2O3 — CID 4249238

IUPAC6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1
InChIInChI=1S/C25H19ClN2O3/c1-30-18-10-7-15(8-11-18)22-14-21(28-31-22)24-23(16-5-3-2-4-6-16)19-13-17(26)9-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29)
InChIKeyXIROHIIIMSLZKC-UHFFFAOYSA-N
MW430.89 g/mol
LogP5.72
Rot. Bonds4

About 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one

6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 4249238) has the molecular formula C25H19ClN2O3 and a molecular weight of 430.89 g/mol. Its IUPAC name is 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID4249238
Molecular FormulaC25H19ClN2O3
Molecular Weight430.89 g/mol
Exact Mass430.11
IUPAC Name6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1
InChIInChI=1S/C25H19ClN2O3/c1-30-18-10-7-15(8-11-18)22-14-21(28-31-22)24-23(16-5-3-2-4-6-16)19-13-17(26)9-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29)
InChIKeyXIROHIIIMSLZKC-UHFFFAOYSA-N
XLogP5.72
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one with MolForge

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Related Compounds

6-chloro-3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
CID 4246127
6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
CID 4060487
6-bromo-3-(5-(4-methoxyphenyl)-4,5-dihydroisoxazol-3-yl)-4-phenylquinolin-2(1H)-one
CID 3375091
1-[3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 3607940
6-Chloro-4-phenyl-3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)quinolin-2-ol
CID 2880527
N-(5-(5-(3,5-dichlorophenyl)-4,5-dihydro-5-trifluoromethyl-3-isoxazolyl)-2-methylphenyl)-4-methoxybenzamide
CID 53628307
4-benzyl-6-chloro-3-[5-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1H-quinolin-2-one
CID 156473857
6-chloro-3-[5-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one
CID 156484264
6-chloro-3-[5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 156484272
3-[2-butanoyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 156484282
4-benzyl-3-[2-butanoyl-3-(3-fluoro-4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-chloro-1H-quinolin-2-one
CID 156484377
6-chloro-4-phenyl-3-(5-(p-tolyl)-4,5-dihydroisoxazol-3-yl)quinolin-2(1H)-one
CID 5061255

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (CID 4249238) is 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is COc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1.
What is the InChIKey of 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is XIROHIIIMSLZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O3/c1-30-18-10-7-15(8-11-18)22-14-21(28-31-22)24-23(16-5-3-2-4-6-16)19-13-17(26)9-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29).
What are the key properties of 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 430.89 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 4249238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).