(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

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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).