(1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H18ClNOS — CID 46081880

IUPAC(1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1sc2ccc3ccccc3c2c1Cl
InChIInChI=1S/C23H18ClNOS/c1-14-8-10-18-16(13-14)6-4-12-25(18)23(26)22-21(24)20-17-7-3-2-5-15(17)9-11-19(20)27-22/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeyZOLLIPRKKMVEFB-UHFFFAOYSA-N
MW391.92 g/mol
LogP6.61
Rot. Bonds1

About (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 46081880) has the molecular formula C23H18ClNOS and a molecular weight of 391.92 g/mol. Its IUPAC name is (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID46081880
Molecular FormulaC23H18ClNOS
Molecular Weight391.92 g/mol
Exact Mass391.08
IUPAC Name(1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1sc2ccc3ccccc3c2c1Cl
InChIInChI=1S/C23H18ClNOS/c1-14-8-10-18-16(13-14)6-4-12-25(18)23(26)22-21(24)20-17-7-3-2-5-15(17)9-11-19(20)27-22/h2-3,5,7-11,13H,4,6,12H2,1H3
InChIKeyZOLLIPRKKMVEFB-UHFFFAOYSA-N
XLogP6.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.92
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-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

Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
(3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1117370
2-(2-chlorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24655671
(3-chloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-6-fluoro-1-benzothiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone;(3-chloro-1H-indol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 158423552
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103608124
10-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acridin-9-one
CID 25332662
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929

Frequently Asked Questions

What is the IUPAC name of (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 46081880) is (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1sc2ccc3ccccc3c2c1Cl.
What is the InChIKey of (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZOLLIPRKKMVEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNOS/c1-14-8-10-18-16(13-14)6-4-12-25(18)23(26)22-21(24)20-17-7-3-2-5-15(17)9-11-19(20)27-22/h2-3,5,7-11,13H,4,6,12H2,1H3.
What are the key properties of (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 391.92 g/mol, XLogP of 6.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 46081880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).