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

C26H22Cl2N4O2 — CID 23745794

IUPAC2'-amino-6-chloro-1'-(2-chlorophenyl)-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(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C26H22Cl2N4O2/c1-13-16(27)9-8-14-22(13)31-24(34)26(14)15(12-29)23(30)32(18-7-5-4-6-17(18)28)19-10-25(2,3)11-20(33)21(19)26/h4-9H,10-11,30H2,1-3H3,(H,31,34)
InChIKeyKNXYVCNVMXPDEI-UHFFFAOYSA-N
MW493.39 g/mol
LogP5.35
Rot. Bonds1

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

2'-amino-6-chloro-1'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (PubChem CID 23745794) has the molecular formula C26H22Cl2N4O2 and a molecular weight of 493.39 g/mol. Its IUPAC name is 2'-amino-6-chloro-1'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-6-chloro-1'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
PubChem CID23745794
Molecular FormulaC26H22Cl2N4O2
Molecular Weight493.39 g/mol
Exact Mass492.11
IUPAC Name2'-amino-6-chloro-1'-(2-chlorophenyl)-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(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C26H22Cl2N4O2/c1-13-16(27)9-8-14-22(13)31-24(34)26(14)15(12-29)23(30)32(18-7-5-4-6-17(18)28)19-10-25(2,3)11-20(33)21(19)26/h4-9H,10-11,30H2,1-3H3,(H,31,34)
InChIKeyKNXYVCNVMXPDEI-UHFFFAOYSA-N
XLogP5.35
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.39
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-chloro-1'-(2-chlorophenyl)-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'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile (CID 23745794) is 2'-amino-6-chloro-1'-(2-chlorophenyl)-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'-(2-chlorophenyl)-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'-(2-chlorophenyl)-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(c2ccccc2Cl)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 2'-amino-6-chloro-1'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
The InChIKey is KNXYVCNVMXPDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O2/c1-13-16(27)9-8-14-22(13)31-24(34)26(14)15(12-29)23(30)32(18-7-5-4-6-17(18)28)19-10-25(2,3)11-20(33)21(19)26/h4-9H,10-11,30H2,1-3H3,(H,31,34).
What are the key properties of 2'-amino-6-chloro-1'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile?
2'-amino-6-chloro-1'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile has a molecular weight of 493.39 g/mol, XLogP of 5.35, 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'-(2-chlorophenyl)-7,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile is sourced from PubChem (CID 23745794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).