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

C19H16ClNO2S — CID 2796536

IUPAC(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H16ClNO2S/c1-23-13-8-9-15-12(11-13)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)24-18/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyQRGPRVAJHCSIFM-UHFFFAOYSA-N
MW357.86 g/mol
LogP5.16
Rot. Bonds2

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

(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 2796536) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID2796536
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC Name(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C19H16ClNO2S/c1-23-13-8-9-15-12(11-13)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)24-18/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyQRGPRVAJHCSIFM-UHFFFAOYSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.86
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-chloro-N-[2-[(4-methoxyphenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
CID 18376848
3-chloro-N-(4-ethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 678908
10-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 1779937
5-[3-(Dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one
CID 10428987
3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 11730189
7-chloro-N-(4-ethoxyphenyl)-N-ethyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16012459
3,6-dichloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 24980380
5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 118731969
1-(1-Benzothien-3-ylcarbonyl)-4-(4-methoxyphenyl)piperazine
CID 1294110
1-(4-Methoxyphenyl)-4-{4H-thieno[3,2-C]thiochromene-2-carbonyl}piperazine
CID 20888983
3-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 18112348
3-chloro-N-ethyl-6-methoxy-N-phenyl-1-benzothiophene-2-carboxamide
CID 714239

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 2796536) is (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QRGPRVAJHCSIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c1-23-13-8-9-15-12(11-13)5-4-10-21(15)19(22)18-17(20)14-6-2-3-7-16(14)24-18/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 357.86 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-benzothiophen-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 2796536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).