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

C19H16ClNOS — CID 903160

IUPAC(3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3CCCc4ccccc43)sc2c1
InChIInChI=1S/C19H16ClNOS/c1-12-8-9-14-16(11-12)23-18(17(14)20)19(22)21-10-4-6-13-5-2-3-7-15(13)21/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyNZRMNASTQLRCRD-UHFFFAOYSA-N
MW341.86 g/mol
LogP5.46
Rot. Bonds1

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

(3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 903160) has the molecular formula C19H16ClNOS and a molecular weight of 341.86 g/mol. Its IUPAC name is (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID903160
Molecular FormulaC19H16ClNOS
Molecular Weight341.86 g/mol
Exact Mass341.06
IUPAC Name(3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(Cl)c(C(=O)N3CCCc4ccccc43)sc2c1
InChIInChI=1S/C19H16ClNOS/c1-12-8-9-14-16(11-12)23-18(17(14)20)19(22)21-10-4-6-13-5-2-3-7-15(13)21/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyNZRMNASTQLRCRD-UHFFFAOYSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.86
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 903160) is (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(Cl)c(C(=O)N3CCCc4ccccc43)sc2c1.
What is the InChIKey of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NZRMNASTQLRCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNOS/c1-12-8-9-14-16(11-12)23-18(17(14)20)19(22)21-10-4-6-13-5-2-3-7-15(13)21/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 341.86 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methyl-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 903160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).