2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile

C26H21Cl3N4O2 — CID 23944989

IUPAC2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
SMILESCc1c(Cl)ccc2c1NC(=O)C21C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C26H21Cl3N4O2/c1-12-18(29)5-4-16-22(12)32-24(35)26(16)17(11-30)23(31)33(15-7-13(27)6-14(28)8-15)19-9-25(2,3)10-20(34)21(19)26/h4-8H,9-10,31H2,1-3H3,(H,32,35)
InChIKeyBNAFJUZJHOMUAV-UHFFFAOYSA-N
MW527.84 g/mol
LogP6.00
Rot. Bonds1

About 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile

2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (PubChem CID 23944989) has the molecular formula C26H21Cl3N4O2 and a molecular weight of 527.84 g/mol. Its IUPAC name is 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
PubChem CID23944989
Molecular FormulaC26H21Cl3N4O2
Molecular Weight527.84 g/mol
Exact Mass526.07
IUPAC Name2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
SMILESCc1c(Cl)ccc2c1NC(=O)C21C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C26H21Cl3N4O2/c1-12-18(29)5-4-16-22(12)32-24(35)26(16)17(11-30)23(31)33(15-7-13(27)6-14(28)8-15)19-9-25(2,3)10-20(34)21(19)26/h4-8H,9-10,31H2,1-3H3,(H,32,35)
InChIKeyBNAFJUZJHOMUAV-UHFFFAOYSA-N
XLogP6.00
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.84
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-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-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The IUPAC name of 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (CID 23944989) is 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The canonical SMILES for 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile is Cc1c(Cl)ccc2c1NC(=O)C21C(C#N)=C(N)N(c2cc(Cl)cc(Cl)c2)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The InChIKey is BNAFJUZJHOMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3N4O2/c1-12-18(29)5-4-16-22(12)32-24(35)26(16)17(11-30)23(31)33(15-7-13(27)6-14(28)8-15)19-9-25(2,3)10-20(34)21(19)26/h4-8H,9-10,31H2,1-3H3,(H,32,35).
What are the key properties of 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile has a molecular weight of 527.84 g/mol, XLogP of 6.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-chloro-1'-(3,5-dichlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile is sourced from PubChem (CID 23944989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).