3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one

C25H26N2O2 — CID 136756877

IUPAC3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC/C(=N\Cc1ccccc1)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C25H26N2O2/c1-2-21(26-17-18-11-5-3-6-12-18)23-24(28)20-15-9-10-16-22(20)27(25(23)29)19-13-7-4-8-14-19/h3-8,11-14,28H,2,9-10,15-17H2,1H3/b26-21+
InChIKeyFUTCRMBYWCCYMH-YYADALCUSA-N
MW386.50 g/mol
LogP4.82
Rot. Bonds5

About 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one

3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 136756877) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID136756877
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC/C(=N\Cc1ccccc1)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C25H26N2O2/c1-2-21(26-17-18-11-5-3-6-12-18)23-24(28)20-15-9-10-16-22(20)27(25(23)29)19-13-7-4-8-14-19/h3-8,11-14,28H,2,9-10,15-17H2,1H3/b26-21+
InChIKeyFUTCRMBYWCCYMH-YYADALCUSA-N
XLogP4.82
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-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

Related Compounds

3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876
3-acetyl-4-hydroxy-1-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-one
CID 110273810
3-hydroxy-6-phenyl-3,4,7,8,9,10-hexahydro-2H-pyrano[3,2-c]quinolin-5-one
CID 2785579
4-benzylsulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 20897270
4-[C-ethyl-N-[2-[1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)propylideneamino]ethyl]carbonimidoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 139206322
(5Z)-5-hydroxyimino-4-methyl-2-oxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxylic acid
CID 121361398
1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 91572460
ethyl (2E)-2-(6-oxo-5-phenyl-3,4-dihydro-2H-phenanthridin-1-ylidene)acetate
CID 56957442
1-(4-chlorophenyl)-5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 3812265
2-(N-benzyl-C-ethylcarbonimidoyl)-6-iodo-4-methylphenol
CID 139234170
5-[C-ethyl-N-(pyridin-3-ylmethyl)carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 3724319
3-(4-chlorophenyl)-5-[C-ethyl-N-(pyridin-1-ium-3-ylmethyl)carbonimidoyl]-2,6-dioxopyrimidin-4-olate
CID 4977197

Frequently Asked Questions

What is the IUPAC name of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one (CID 136756877) is 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one is CC/C(=N\Cc1ccccc1)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2.
What is the InChIKey of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is FUTCRMBYWCCYMH-YYADALCUSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-2-21(26-17-18-11-5-3-6-12-18)23-24(28)20-15-9-10-16-22(20)27(25(23)29)19-13-7-4-8-14-19/h3-8,11-14,28H,2,9-10,15-17H2,1H3/b26-21+.
What are the key properties of 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one?
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 136756877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).