ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate

C32H26N2O4 — CID 78115216

IUPACethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)C2(C(=O)N(C(C)=O)c3ccccc32)C1c1ccc2ccccc2n1
InChIInChI=1S/C32H26N2O4/c1-3-38-30(36)23-19-25(21-11-5-4-6-12-21)32(24-14-8-10-16-28(24)34(20(2)35)31(32)37)29(23)27-18-17-22-13-7-9-15-26(22)33-27/h4-19,25,29H,3H2,1-2H3
InChIKeyXOKJPPMHKRCJGT-UHFFFAOYSA-N
MW502.57 g/mol
LogP5.44
Rot. Bonds4

About ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate

ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate (PubChem CID 78115216) has the molecular formula C32H26N2O4 and a molecular weight of 502.57 g/mol. Its IUPAC name is ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate.

Molecular Properties

Compound Nameethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate
PubChem CID78115216
Molecular FormulaC32H26N2O4
Molecular Weight502.57 g/mol
Exact Mass502.19
IUPAC Nameethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate
SMILESCCOC(=O)C1=CC(c2ccccc2)C2(C(=O)N(C(C)=O)c3ccccc32)C1c1ccc2ccccc2n1
InChIInChI=1S/C32H26N2O4/c1-3-38-30(36)23-19-25(21-11-5-4-6-12-21)32(24-14-8-10-16-28(24)34(20(2)35)31(32)37)29(23)27-18-17-22-13-7-9-15-26(22)33-27/h4-19,25,29H,3H2,1-2H3
InChIKeyXOKJPPMHKRCJGT-UHFFFAOYSA-N
XLogP5.44
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate 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

ethyl (3R,4S,5R)-1'-acetyl-2'-oxo-5-phenyl-3-(2-phenylethyl)spiro[cyclopentene-4,3'-indole]-1-carboxylate
CID 71568118
ethyl (4S,5R,6S)-1'-acetyl-2-hydroxy-4-(4-nitrophenyl)-2'-oxo-6-phenylspiro[cyclohexene-5,3'-indole]-1-carboxylate
CID 54750060
ethyl (3R,4S,5S)-5-acetyl-1'-(anthracen-9-ylmethyl)-3-methyl-2'-oxospiro[cyclopentene-4,3'-indole]-1-carboxylate
CID 139181675
ethyl (2S,6S)-2',4-dioxo-2,6-diphenylspiro[cyclohexane-1,3'-indole]-1'-carboxylate
CID 177422501
ethyl (1S,4S,5R)-1'-acetyl-2-(4-methylbenzoyl)-4-[2-(4-methylphenyl)ethyl]-2'-oxospiro[cyclopent-2-ene-5,3'-indole]-1-carboxylate
CID 102098226
diethyl (3R,4'S,5'S)-1-acetyl-2-oxo-4',5'-diphenylspiro[indole-3,3'-pyrrolidine]-2',2'-dicarboxylate
CID 101493388
ethyl (4R,5R,6R)-1'-acetyl-2'-oxo-5-phenyl-4-[4-(trifluoromethyl)phenyl]spiro[cyclohexene-6,3'-indole]-1-carboxylate
CID 102527170
ethyl (4R)-1'-acetyl-2-amino-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 41452982
ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate
CID 54716139
ethyl (3R,5R)-4,4-dicyano-5-phenyl-3-(2-phenylethyl)cyclopentene-1-carboxylate
CID 122224688
ethyl (2R,6R)-2,6-bis(4-chlorophenyl)-2',4-dioxospiro[cyclohexane-1,3'-indole]-1'-carboxylate
CID 53381092
tetraethyl (6S,12R)-6,12-diphenyl-3,9-diazatricyclo[6.4.0.02,7]dodeca-4,10-diene-1,5,7,11-tetracarboxylate
CID 10698855

Frequently Asked Questions

What is the IUPAC name of ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate?
The IUPAC name of ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate (CID 78115216) is ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate.
What is the SMILES notation for ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate?
The canonical SMILES for ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate is CCOC(=O)C1=CC(c2ccccc2)C2(C(=O)N(C(C)=O)c3ccccc32)C1c1ccc2ccccc2n1.
What is the InChIKey of ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate?
The InChIKey is XOKJPPMHKRCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O4/c1-3-38-30(36)23-19-25(21-11-5-4-6-12-21)32(24-14-8-10-16-28(24)34(20(2)35)31(32)37)29(23)27-18-17-22-13-7-9-15-26(22)33-27/h4-19,25,29H,3H2,1-2H3.
What are the key properties of ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate?
ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate has a molecular weight of 502.57 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-acetyl-2'-oxo-3-phenyl-5-quinolin-2-ylspiro[cyclopentene-4,3'-indole]-1-carboxylate is sourced from PubChem (CID 78115216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).