(4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H19NOS — CID 17024422

IUPAC(4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C17H19NOS/c1-11-6-7-15-14(9-11)5-4-8-18(15)17(19)16-10-12(2)13(3)20-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySDEWZXDTBYBMNQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.27
Rot. Bonds1

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

(4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 17024422) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID17024422
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C17H19NOS/c1-11-6-7-15-14(9-11)5-4-8-18(15)17(19)16-10-12(2)13(3)20-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeySDEWZXDTBYBMNQ-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

Thiofuranylfentanyl
CID 137700027
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20857481
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653
N-(3-Methylbutyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 5147248

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 17024422) is (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)c(C)s1.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SDEWZXDTBYBMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-11-6-7-15-14(9-11)5-4-8-18(15)17(19)16-10-12(2)13(3)20-16/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 285.41 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 17024422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).