(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

C15H15NOS — CID 2928409

IUPAC(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CCc2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C15H15NOS/c1-11-8-9-12-5-2-3-6-13(12)16(11)15(17)14-7-4-10-18-14/h2-7,10-11H,8-9H2,1H3
InChIKeyKRQMZDGMFKVTHP-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.73
Rot. Bonds1

About (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (PubChem CID 2928409) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
PubChem CID2928409
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESCC1CCc2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C15H15NOS/c1-11-8-9-12-5-2-3-6-13(12)16(11)15(17)14-7-4-10-18-14/h2-7,10-11H,8-9H2,1H3
InChIKeyKRQMZDGMFKVTHP-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiofuranylfentanyl
CID 137700027
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 658113
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
3-(4-(Dimethylamino)phenyl)-1-(2-thienyl)-2-propen-1-one
CID 5709353
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
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

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (CID 2928409) is (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone is CC1CCc2ccccc2N1C(=O)c1cccs1.
What is the InChIKey of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is KRQMZDGMFKVTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-8-9-12-5-2-3-6-13(12)16(11)15(17)14-7-4-10-18-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 257.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 2928409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).