(3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H13ClFNOS — CID 71115929

IUPAC(3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCCc2cc(F)ccc21
InChIInChI=1S/C18H13ClFNOS/c19-16-13-5-1-2-6-15(13)23-17(16)18(22)21-9-3-4-11-10-12(20)7-8-14(11)21/h1-2,5-8,10H,3-4,9H2
InChIKeyZGQMYMYRUOLVOF-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.29
Rot. Bonds1

About (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone

(3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 71115929) has the molecular formula C18H13ClFNOS and a molecular weight of 345.83 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID71115929
Molecular FormulaC18H13ClFNOS
Molecular Weight345.83 g/mol
Exact Mass345.04
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCCc2cc(F)ccc21
InChIInChI=1S/C18H13ClFNOS/c19-16-13-5-1-2-6-15(13)23-17(16)18(22)21-9-3-4-11-10-12(20)7-8-14(11)21/h1-2,5-8,10H,3-4,9H2
InChIKeyZGQMYMYRUOLVOF-UHFFFAOYSA-N
XLogP5.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)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-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 71115929) is (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1sc2ccccc2c1Cl)N1CCCc2cc(F)ccc21.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZGQMYMYRUOLVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNOS/c19-16-13-5-1-2-6-15(13)23-17(16)18(22)21-9-3-4-11-10-12(20)7-8-14(11)21/h1-2,5-8,10H,3-4,9H2.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 71115929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).