ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate

C28H29N3O4 — CID 23914160

IUPACethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)N(c2cccc(C)c2C)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C28H29N3O4/c1-5-35-26(33)24-25(29)31(20-9-6-8-16(3)17(20)4)21-10-7-11-22(32)23(21)28(24)18-14-15(2)12-13-19(18)30-27(28)34/h6,8-9,12-14H,5,7,10-11,29H2,1-4H3,(H,30,34)
InChIKeyWIXQVODCVUBKDT-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.06
Rot. Bonds3

About ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate

ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate (PubChem CID 23914160) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
PubChem CID23914160
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Nameethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)N(c2cccc(C)c2C)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C28H29N3O4/c1-5-35-26(33)24-25(29)31(20-9-6-8-16(3)17(20)4)21-10-7-11-22(32)23(21)28(24)18-14-15(2)12-13-19(18)30-27(28)34/h6,8-9,12-14H,5,7,10-11,29H2,1-4H3,(H,30,34)
InChIKeyWIXQVODCVUBKDT-UHFFFAOYSA-N
XLogP4.06
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-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 2'-amino-5-chloro-1'-(2,3-dimethylphenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23970025
ethyl 2'-amino-5-chloro-1'-(3,5-dichlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23886051
methyl 2'-amino-1'-(4-chloro-2-fluorophenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23858310
ethyl 2'-amino-5-bromo-1'-(4-chloro-2-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23801210
ethyl 2'-amino-1'-(2-chlorophenyl)-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23858278
ethyl 2'-amino-1'-(3-chloro-4-methylphenyl)-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23970023
2'-amino-1'-(2-bromo-5-methylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 23861250
ethyl 2'-amino-5-chloro-1'-(2,4-dichlorophenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23942125
2'-amino-1'-(3-chlorophenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 6496523
methyl 2'-amino-1'-(2,5-dimethylphenyl)-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carboxylate
CID 23886038
methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23942139
ethyl (3S)-2'-amino-5-chloro-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 7554604

Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate (CID 23914160) is ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate is CCOC(=O)C1=C(N)N(c2cccc(C)c2C)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(C)cc12.
What is the InChIKey of ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
The InChIKey is WIXQVODCVUBKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-5-35-26(33)24-25(29)31(20-9-6-8-16(3)17(20)4)21-10-7-11-22(32)23(21)28(24)18-14-15(2)12-13-19(18)30-27(28)34/h6,8-9,12-14H,5,7,10-11,29H2,1-4H3,(H,30,34).
What are the key properties of ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate?
ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate has a molecular weight of 471.56 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-1'-(2,3-dimethylphenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate is sourced from PubChem (CID 23914160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).