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

C23H17FN4O2 — CID 7426356

IUPAC(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H17FN4O2/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)/t23-/m1/s1
InChIKeyITWLZHJECCJOEO-HSZRJFAPSA-N
MW400.41 g/mol
LogP3.24
Rot. Bonds1

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

(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (PubChem CID 7426356) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
PubChem CID7426356
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H17FN4O2/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)/t23-/m1/s1
InChIKeyITWLZHJECCJOEO-HSZRJFAPSA-N
XLogP3.24
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 7305118
2'-amino-1'-(4-chlorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 5073424
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
(3R)-2'-amino-7',7'-dimethyl-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-6,8-dihydroquinoline]-3'-carbonitrile
CID 7426343
5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
CID 134088011
(3S)-2'-amino-2,5'-dioxo-1'-phenylspiro[1H-indole-3,4'-7H-furo[3,4-b]pyridine]-3'-carbonitrile
CID 7305443
2'-amino-1'-(3-chlorophenyl)-5-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 6496523
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-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 6496468
(3R)-1'-(3-chlorophenyl)-2,5'-dioxo-2'-pyrrol-1-ylspiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
CID 42559599
methyl 2'-amino-1'-(4-bromophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carboxylate
CID 23942139
2-amino-1-(2-fluorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 4916424

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The IUPAC name of (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (CID 7426356) is (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.
What is the SMILES notation for (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The canonical SMILES for (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The InChIKey is ITWLZHJECCJOEO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H17FN4O2/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)/t23-/m1/s1.
What are the key properties of (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
(3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile has a molecular weight of 400.41 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-amino-1'-(4-fluorophenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is sourced from PubChem (CID 7426356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).