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

C18H13Cl2NOS — CID 1117370

IUPAC(3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1sc2cc(Cl)ccc2c1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H13Cl2NOS/c19-12-7-8-13-15(10-12)23-17(16(13)20)18(22)21-9-3-5-11-4-1-2-6-14(11)21/h1-2,4,6-8,10H,3,5,9H2
InChIKeyDXTUCZUMIZAMJN-UHFFFAOYSA-N
MW362.28 g/mol
LogP5.80
Rot. Bonds1

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

(3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1117370) has the molecular formula C18H13Cl2NOS and a molecular weight of 362.28 g/mol. Its IUPAC name is (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1117370
Molecular FormulaC18H13Cl2NOS
Molecular Weight362.28 g/mol
Exact Mass361.01
IUPAC Name(3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1sc2cc(Cl)ccc2c1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H13Cl2NOS/c19-12-7-8-13-15(10-12)23-17(16(13)20)18(22)21-9-3-5-11-4-1-2-6-14(11)21/h1-2,4,6-8,10H,3,5,9H2
InChIKeyDXTUCZUMIZAMJN-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.28
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-N'-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoyl]-1-benzothiophene-2-carbohydrazide
CID 5120803
(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
(2,4-dichloro-6-hydroxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155527744
(1-chlorobenzo[e][1]benzothiol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46081880
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
2-[2-(3,6-dichloro-1-benzothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 166264190
6-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylquinolin-4-one
CID 39851482
5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965
(3,6-dichloro-1-benzothiophen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918798
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
3,6-dichloro-N-[(2-piperidin-1-ylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17109749

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1117370) is (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCCc2ccccc21.
What is the InChIKey of (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is DXTUCZUMIZAMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NOS/c19-12-7-8-13-15(10-12)23-17(16(13)20)18(22)21-9-3-5-11-4-1-2-6-14(11)21/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 362.28 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1117370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).