1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C16H15Cl2NOS — CID 43228672

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H15Cl2NOS/c1-10-4-5-13-11(7-10)3-2-6-19(13)9-14(20)12-8-15(17)21-16(12)18/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyRZQQKPIRVBDVKZ-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.00
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 43228672) has the molecular formula C16H15Cl2NOS and a molecular weight of 340.28 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID43228672
Molecular FormulaC16H15Cl2NOS
Molecular Weight340.28 g/mol
Exact Mass339.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccc2c(c1)CCCN2CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H15Cl2NOS/c1-10-4-5-13-11(7-10)3-2-6-19(13)9-14(20)12-8-15(17)21-16(12)18/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyRZQQKPIRVBDVKZ-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43228673
methyl 2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194618
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-en-1-amine
CID 103069126
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
ethane;1-ethyl-6-methyl-3,4-dihydro-2H-quinoline
CID 143643901
methyl 5-ethyl-2-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22194579
2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302
N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593415
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8593411

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 43228672) is 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1ccc2c(c1)CCCN2CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is RZQQKPIRVBDVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS/c1-10-4-5-13-11(7-10)3-2-6-19(13)9-14(20)12-8-15(17)21-16(12)18/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 340.28 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 43228672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).