(2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate

C22H18ClNO3 — CID 11794133

IUPAC(2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c2c1CCCC2)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO3/c23-18-12-6-4-10-16(18)22(26)27-20-14-21(25)24(15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-4,6,8-10,12,14H,5,7,11,13H2
InChIKeyCAUGEVFWZOQHDM-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.59
Rot. Bonds3

About (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate

(2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate (PubChem CID 11794133) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate
PubChem CID11794133
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name(2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate
SMILESO=C(Oc1cc(=O)n(-c2ccccc2)c2c1CCCC2)c1ccccc1Cl
InChIInChI=1S/C22H18ClNO3/c23-18-12-6-4-10-16(18)22(26)27-20-14-21(25)24(15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-4,6,8-10,12,14H,5,7,11,13H2
InChIKeyCAUGEVFWZOQHDM-UHFFFAOYSA-N
XLogP4.59
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate 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

[5-(2-chlorobenzoyl)oxy-9,10-dioxoanthracen-1-yl] 2-chlorobenzoate
CID 10481685
4-(2-chlorobenzoyl)oxy-3,5-dimethylbenzoic acid
CID 129451000
(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 3430707
3-acetyl-4-hydroxy-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
CID 110273810
[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 2-chlorobenzoate
CID 3503707
[2,6-dimethoxy-4-(piperidine-1-carbothioyl)phenyl] 2-chlorobenzoate
CID 1127197
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
ethyl 1-(4-chlorophenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367447
(4-carbonochloridoyl-2,6-dimethylphenyl) 2-chlorobenzoate
CID 129451503
[4-acetyl-3,5-bis[(2-chlorobenzoyl)oxy]phenyl] 2-chlorobenzoate
CID 5314949
[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-ethoxyphenyl] 2-chlorobenzoate
CID 23102414
[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] 2-chlorobenzoate
CID 135069268

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate?
The IUPAC name of (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate (CID 11794133) is (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate.
What is the SMILES notation for (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate?
The canonical SMILES for (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate is O=C(Oc1cc(=O)n(-c2ccccc2)c2c1CCCC2)c1ccccc1Cl.
What is the InChIKey of (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate?
The InChIKey is CAUGEVFWZOQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c23-18-12-6-4-10-16(18)22(26)27-20-14-21(25)24(15-8-2-1-3-9-15)19-13-7-5-11-17(19)20/h1-4,6,8-10,12,14H,5,7,11,13H2.
What are the key properties of (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate?
(2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate has a molecular weight of 379.84 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-5,6,7,8-tetrahydroquinolin-4-yl) 2-chlorobenzoate is sourced from PubChem (CID 11794133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).