3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one

C24H20ClN3O4 — CID 58240960

IUPAC3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(C)=O)n2Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-3-15-6-9-21-19(11-15)22(18-5-4-10-26-24(18)30)23(14(2)29)27(21)13-16-12-17(28(31)32)7-8-20(16)25/h4-12H,3,13H2,1-2H3,(H,26,30)
InChIKeyWMPAYTWIBYZAIA-UHFFFAOYSA-N
MW449.89 g/mol
LogP5.37
Rot. Bonds6

About 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one

3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one (PubChem CID 58240960) has the molecular formula C24H20ClN3O4 and a molecular weight of 449.89 g/mol. Its IUPAC name is 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one
PubChem CID58240960
Molecular FormulaC24H20ClN3O4
Molecular Weight449.89 g/mol
Exact Mass449.11
IUPAC Name3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(C)=O)n2Cc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C24H20ClN3O4/c1-3-15-6-9-21-19(11-15)22(18-5-4-10-26-24(18)30)23(14(2)29)27(21)13-16-12-17(28(31)32)7-8-20(16)25/h4-12H,3,13H2,1-2H3,(H,26,30)
InChIKeyWMPAYTWIBYZAIA-UHFFFAOYSA-N
XLogP5.37
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.89
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-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-[2-acetyl-5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-6-fluoro-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-6-methyl-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methylindol-3-yl]-1H-pyridin-2-one
CID 158842063
1-[(2-chloroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240832
5-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240848
3-[5-tert-butyl-2-(2-cyclopropylsulfonylacetyl)-1-[(2-fluoro-5-nitrophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 58132435
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 143773929
2-[2-acetyl-6-chloro-1-[(2-chloroquinolin-3-yl)methyl]-5-methylindol-3-yl]cyclohexa-2,4-dien-1-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methylindol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-chloroquinolin-3-yl)methyl]-5-(trifluoromethyl)indol-3-yl]-1H-pyridin-2-one;3-[2-acetyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(trifluoromethyl)indol-3-yl]-1H-pyridin-2-one
CID 160709329
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132538
1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225634
[3-[[2-carboxy-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indol-1-yl]methyl]-4-fluorophenyl]-methoxy-oxoazanium
CID 163975680
5-chloro-1-[(2-fluoro-5-methylsulfinylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 66821730
1-[(2-fluoro-3-methylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240990
5-bromo-N-ethylsulfonyl-1-[(2-fluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132469

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one (CID 58240960) is 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one is CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(C)=O)n2Cc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one?
The InChIKey is WMPAYTWIBYZAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4/c1-3-15-6-9-21-19(11-15)22(18-5-4-10-26-24(18)30)23(14(2)29)27(21)13-16-12-17(28(31)32)7-8-20(16)25/h4-12H,3,13H2,1-2H3,(H,26,30).
What are the key properties of 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one?
3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one has a molecular weight of 449.89 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetyl-1-[(2-chloro-5-nitrophenyl)methyl]-5-ethylindol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58240960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).