2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile

C24H16F4N4O2 — CID 4918271

IUPAC2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C24H16F4N4O2/c25-13-6-9-17-15(10-13)23(22(34)31-17)16(11-29)21(30)32(18-2-1-3-19(33)20(18)23)14-7-4-12(5-8-14)24(26,27)28/h4-10H,1-3,30H2,(H,31,34)
InChIKeyXVCACFIREVUDGC-UHFFFAOYSA-N
MW468.41 g/mol
LogP4.26
Rot. Bonds1

About 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile

2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile (PubChem CID 4918271) has the molecular formula C24H16F4N4O2 and a molecular weight of 468.41 g/mol. Its IUPAC name is 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
PubChem CID4918271
Molecular FormulaC24H16F4N4O2
Molecular Weight468.41 g/mol
Exact Mass468.12
IUPAC Name2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile
SMILESN#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C24H16F4N4O2/c25-13-6-9-17-15(10-13)23(22(34)31-17)16(11-29)21(30)32(18-2-1-3-19(33)20(18)23)14-7-4-12(5-8-14)24(26,27)28/h4-10H,1-3,30H2,(H,31,34)
InChIKeyXVCACFIREVUDGC-UHFFFAOYSA-N
XLogP4.26
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The IUPAC name of 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) is 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The canonical SMILES for 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)CCC2)C12C(=O)Nc1ccc(F)cc12.
What is the InChIKey of 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
The InChIKey is XVCACFIREVUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O2/c25-13-6-9-17-15(10-13)23(22(34)31-17)16(11-29)21(30)32(18-2-1-3-19(33)20(18)23)14-7-4-12(5-8-14)24(26,27)28/h4-10H,1-3,30H2,(H,31,34).
What are the key properties of 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile?
2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile has a molecular weight of 468.41 g/mol, XLogP of 4.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-5-fluoro-2,5'-dioxo-1'-[4-(trifluoromethyl)phenyl]spiro[1H-indole-3,4'-7,8-dihydro-6H-quinoline]-3'-carbonitrile is sourced from PubChem (CID 4918271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).