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

C25H19ClN2O2 — CID 5061255

IUPAC6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESCc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1
InChIInChI=1S/C25H19ClN2O2/c1-15-7-9-16(10-8-15)22-14-21(28-30-22)24-23(17-5-3-2-4-6-17)19-13-18(26)11-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29)
InChIKeyNBABFWAIZVHWIL-UHFFFAOYSA-N
MW414.89 g/mol
LogP6.02
Rot. Bonds3

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

6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 5061255) has the molecular formula C25H19ClN2O2 and a molecular weight of 414.89 g/mol. Its IUPAC name is 6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID5061255
Molecular FormulaC25H19ClN2O2
Molecular Weight414.89 g/mol
Exact Mass414.11
IUPAC Name6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESCc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1
InChIInChI=1S/C25H19ClN2O2/c1-15-7-9-16(10-8-15)22-14-21(28-30-22)24-23(17-5-3-2-4-6-17)19-13-18(26)11-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29)
InChIKeyNBABFWAIZVHWIL-UHFFFAOYSA-N
XLogP6.02
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139227289
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CID 139227290
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CID 3144560
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CID 4526402
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CID 178244420
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one (CID 5061255) is 6-chloro-3-[5-(4-methylphenyl)-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-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is Cc1ccc(C2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1.
What is the InChIKey of 6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is NBABFWAIZVHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O2/c1-15-7-9-16(10-8-15)22-14-21(28-30-22)24-23(17-5-3-2-4-6-17)19-13-18(26)11-12-20(19)27-25(24)29/h2-13,22H,14H2,1H3,(H,27,29).
What are the key properties of 6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 414.89 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 5061255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).