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

C23H18N4O2 — CID 7305118

IUPAC(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H18N4O2/c24-13-16-21(25)27(14-7-2-1-3-8-14)18-11-6-12-19(28)20(18)23(16)15-9-4-5-10-17(15)26-22(23)29/h1-5,7-10H,6,11-12,25H2,(H,26,29)/t23-/m1/s1
InChIKeyLJXOMIDFXXXSCU-HSZRJFAPSA-N
MW382.42 g/mol
LogP3.10
Rot. Bonds1

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

(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (PubChem CID 7305118) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
PubChem CID7305118
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H18N4O2/c24-13-16-21(25)27(14-7-2-1-3-8-14)18-11-6-12-19(28)20(18)23(16)15-9-4-5-10-17(15)26-22(23)29/h1-5,7-10H,6,11-12,25H2,(H,26,29)/t23-/m1/s1
InChIKeyLJXOMIDFXXXSCU-HSZRJFAPSA-N
XLogP3.10
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 7426356
2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 5073424
(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
CID 7426343
(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
CID 7305443
2'-amino-6-chloro-7-methyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 4919783
2'-amino-1'-(3-chlorophenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 6496523
(3R)-1'-(3-chlorophenyl)-2,5'-dioxo-2'-pyrrol-1-ylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 42559599
2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 4918271
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
methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23942139
(4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 7230308
2-amino-1-(3-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 6496468

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (CID 7305118) is (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The InChIKey is LJXOMIDFXXXSCU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-13-16-21(25)27(14-7-2-1-3-8-14)18-11-6-12-19(28)20(18)23(16)15-9-4-5-10-17(15)26-22(23)29/h1-5,7-10H,6,11-12,25H2,(H,26,29)/t23-/m1/s1.
What are the key properties of (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile has a molecular weight of 382.42 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is sourced from PubChem (CID 7305118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).