2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile

C23H17ClN4O2 — CID 5073424

IUPAC2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C23H17ClN4O2/c24-13-8-10-14(11-9-13)28-18-6-3-7-19(29)20(18)23(16(12-25)21(28)26)15-4-1-2-5-17(15)27-22(23)30/h1-2,4-5,8-11H,3,6-7,26H2,(H,27,30)
InChIKeyRFUXDWIKFWWDGX-UHFFFAOYSA-N
MW416.87 g/mol
LogP3.75
Rot. Bonds1

About 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile

2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (PubChem CID 5073424) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
PubChem CID5073424
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C23H17ClN4O2/c24-13-8-10-14(11-9-13)28-18-6-3-7-19(29)20(18)23(16(12-25)21(28)26)15-4-1-2-5-17(15)27-22(23)30/h1-2,4-5,8-11H,3,6-7,26H2,(H,27,30)
InChIKeyRFUXDWIKFWWDGX-UHFFFAOYSA-N
XLogP3.75
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The IUPAC name of 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (CID 5073424) is 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The canonical SMILES for 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccccc12.
What is the InChIKey of 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The InChIKey is RFUXDWIKFWWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c24-13-8-10-14(11-9-13)28-18-6-3-7-19(29)20(18)23(16(12-25)21(28)26)15-4-1-2-5-17(15)27-22(23)30/h1-2,4-5,8-11H,3,6-7,26H2,(H,27,30).
What are the key properties of 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile has a molecular weight of 416.87 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is sourced from PubChem (CID 5073424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).