3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one

C21H24FN3OS — CID 14592307

IUPAC3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one
SMILESO=C1Nc2ccc(F)cc2C12C1CCCCC1=NC(=S)N2C1CCCCC1
InChIInChI=1S/C21H24FN3OS/c22-13-10-11-18-16(12-13)21(19(26)23-18)15-8-4-5-9-17(15)24-20(27)25(21)14-6-2-1-3-7-14/h10-12,14-15H,1-9H2,(H,23,26)
InChIKeyHCOQZLZDLWMFDX-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.54
Rot. Bonds1

About 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one

3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one (PubChem CID 14592307) has the molecular formula C21H24FN3OS and a molecular weight of 385.51 g/mol. Its IUPAC name is 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one.

Molecular Properties

Compound Name3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one
PubChem CID14592307
Molecular FormulaC21H24FN3OS
Molecular Weight385.51 g/mol
Exact Mass385.16
IUPAC Name3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one
SMILESO=C1Nc2ccc(F)cc2C12C1CCCCC1=NC(=S)N2C1CCCCC1
InChIInChI=1S/C21H24FN3OS/c22-13-10-11-18-16(12-13)21(19(26)23-18)15-8-4-5-9-17(15)24-20(27)25(21)14-6-2-1-3-7-14/h10-12,14-15H,1-9H2,(H,23,26)
InChIKeyHCOQZLZDLWMFDX-UHFFFAOYSA-N
XLogP4.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1'-(cyclohexylmethyl)-5-fluorospiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 68852249
(3R)-3-(5-amino-1-cyclopentyl-3-methylpyrazol-4-yl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 99807241
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58482281
(1R,3S,3aR,6aS)-5-cyclohexyl-5'-fluoro-1-[(4-hydroxyphenyl)methyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 51523516
(1S,3R,3aR,6aS)-5-cycloheptyl-5'-fluoro-1-[(1R)-1-hydroxyethyl]spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-ium-3,3'-1H-indole]-2',4,6-trione
CID 7583829
1-cyclopentyl-6-fluoro-3,4-dihydroquinoxalin-2-one
CID 105494352
(3S,3'aS,8'aS,8'bS)-2'-(3,4-dichlorophenyl)-5-fluorospiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 100833114
5-fluoro-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 4885931
(3R,3'aR,8'aS,8'bS)-5-fluoro-2'-phenylspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 92507927
4-cyclopentyl-3-(6-fluoro-2,3-dihydroindol-1-yl)-1H-1,2,4-triazole-5-thione
CID 103501279
(3S,3'aR,8'aS,8'bR)-5-fluoro-2'-(4-fluorophenyl)spiro[1H-indole-3,4'-5,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-5-ium]-1',2,3'-trione
CID 11898956
5-fluoro-10'-(4-fluorophenyl)spiro[1H-indole-3,9'-2,3,4,5,6,7-hexahydroacridine]-1',2,8'-trione
CID 134088011

Frequently Asked Questions

What is the IUPAC name of 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one?
The IUPAC name of 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one (CID 14592307) is 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one.
What is the SMILES notation for 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one?
The canonical SMILES for 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one is O=C1Nc2ccc(F)cc2C12C1CCCCC1=NC(=S)N2C1CCCCC1.
What is the InChIKey of 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one?
The InChIKey is HCOQZLZDLWMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3OS/c22-13-10-11-18-16(12-13)21(19(26)23-18)15-8-4-5-9-17(15)24-20(27)25(21)14-6-2-1-3-7-14/h10-12,14-15H,1-9H2,(H,23,26).
What are the key properties of 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one?
3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one has a molecular weight of 385.51 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-cyclohexyl-5-fluoro-2'-sulfanylidenespiro[1H-indole-3,4'-5,6,7,8-tetrahydro-4aH-quinazoline]-2-one is sourced from PubChem (CID 14592307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).