1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C17H18ClNOS — CID 43794192

IUPAC1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1ccc2c(c1)CCCN2C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H18ClNOS/c1-11-5-6-14-13(10-11)4-3-9-19(14)12(2)17(20)15-7-8-16(18)21-15/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyVTFOTOBPEFUJAS-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.73
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 43794192) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID43794192
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1ccc2c(c1)CCCN2C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H18ClNOS/c1-11-5-6-14-13(10-11)4-3-9-19(14)12(2)17(20)15-7-8-16(18)21-15/h5-8,10,12H,3-4,9H2,1-2H3
InChIKeyVTFOTOBPEFUJAS-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one with MolForge

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593571
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 64692920
(5-chlorothiophen-2-yl)-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47168711
(2R)-N-(3-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593450
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
1-(2,5-dichlorothiophen-3-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43228672
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanethioamide
CID 54945043
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 43794192) is 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is Cc1ccc2c(c1)CCCN2C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is VTFOTOBPEFUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c1-11-5-6-14-13(10-11)4-3-9-19(14)12(2)17(20)15-7-8-16(18)21-15/h5-8,10,12H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 319.86 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 43794192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).