6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one

C28H24ClN5O2 — CID 135454951

IUPAC6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1cc(CN2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C28H24ClN5O2/c29-20-9-10-23-22(16-20)26(19-6-2-1-3-7-19)27(28(35)31-23)24-17-21(32-36-24)18-33-12-14-34(15-13-33)25-8-4-5-11-30-25/h1-11,16-17H,12-15,18H2,(H,31,35)
InChIKeyYWJJZSMIICJHHJ-UHFFFAOYSA-N
MW497.99 g/mol
LogP5.22
Rot. Bonds5

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

6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one (PubChem CID 135454951) has the molecular formula C28H24ClN5O2 and a molecular weight of 497.99 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one
PubChem CID135454951
Molecular FormulaC28H24ClN5O2
Molecular Weight497.99 g/mol
Exact Mass497.16
IUPAC Name6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1cc(CN2CCN(c3ccccn3)CC2)no1
InChIInChI=1S/C28H24ClN5O2/c29-20-9-10-23-22(16-20)26(19-6-2-1-3-7-19)27(28(35)31-23)24-17-21(32-36-24)18-33-12-14-34(15-13-33)25-8-4-5-11-30-25/h1-11,16-17H,12-15,18H2,(H,31,35)
InChIKeyYWJJZSMIICJHHJ-UHFFFAOYSA-N
XLogP5.22
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.99
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one (CID 135454951) is 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1cc(CN2CCN(c3ccccn3)CC2)no1.
What is the InChIKey of 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one?
The InChIKey is YWJJZSMIICJHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O2/c29-20-9-10-23-22(16-20)26(19-6-2-1-3-7-19)27(28(35)31-23)24-17-21(32-36-24)18-33-12-14-34(15-13-33)25-8-4-5-11-30-25/h1-11,16-17H,12-15,18H2,(H,31,35).
What are the key properties of 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one?
6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one has a molecular weight of 497.99 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazol-5-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135454951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).