3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone

C19H24ClNOS — CID 11717264

IUPAC3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone
SMILESO=C(N1CCCC2CCCCC21)C1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClNOS/c20-15-7-9-16(10-8-15)23-19(11-12-19)18(22)21-13-3-5-14-4-1-2-6-17(14)21/h7-10,14,17H,1-6,11-13H2
InChIKeyYNDBVTREHJJWAT-UHFFFAOYSA-N
MW349.93 g/mol
LogP5.15
Rot. Bonds3

About 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone (PubChem CID 11717264) has the molecular formula C19H24ClNOS and a molecular weight of 349.93 g/mol. Its IUPAC name is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone.

Molecular Properties

Compound Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone
PubChem CID11717264
Molecular FormulaC19H24ClNOS
Molecular Weight349.93 g/mol
Exact Mass349.13
IUPAC Name3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone
SMILESO=C(N1CCCC2CCCCC21)C1(Sc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClNOS/c20-15-7-9-16(10-8-15)23-19(11-12-19)18(22)21-13-3-5-14-4-1-2-6-17(14)21/h7-10,14,17H,1-6,11-13H2
InChIKeyYNDBVTREHJJWAT-UHFFFAOYSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.93
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone?
The IUPAC name of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone (CID 11717264) is 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone.
What is the SMILES notation for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone?
The canonical SMILES for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone is O=C(N1CCCC2CCCCC21)C1(Sc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone?
The InChIKey is YNDBVTREHJJWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNOS/c20-15-7-9-16(10-8-15)23-19(11-12-19)18(22)21-13-3-5-14-4-1-2-6-17(14)21/h7-10,14,17H,1-6,11-13H2.
What are the key properties of 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone?
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone has a molecular weight of 349.93 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[1-(4-chlorophenyl)sulfanylcyclopropyl]methanone is sourced from PubChem (CID 11717264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).