3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one

C22H17ClN2O2 — CID 54710935

IUPAC3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C22H17ClN2O2/c23-16-9-10-18-19(12-16)25-22(27)20(21(18)26)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12,24H,13H2,(H2,25,26,27)
InChIKeyOYVYVLWLPDVJIA-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.17
Rot. Bonds4

About 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one

3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one (PubChem CID 54710935) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one
PubChem CID54710935
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C22H17ClN2O2/c23-16-9-10-18-19(12-16)25-22(27)20(21(18)26)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12,24H,13H2,(H2,25,26,27)
InChIKeyOYVYVLWLPDVJIA-UHFFFAOYSA-N
XLogP5.17
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-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 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one (CID 54710935) is 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(NCc2ccccc2)c1.
What is the InChIKey of 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is OYVYVLWLPDVJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c23-16-9-10-18-19(12-16)25-22(27)20(21(18)26)15-7-4-8-17(11-15)24-13-14-5-2-1-3-6-14/h1-12,24H,13H2,(H2,25,26,27).
What are the key properties of 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one?
3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 376.84 g/mol, XLogP of 5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzylamino)phenyl]-7-chloro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54710935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).