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

C15H15NOS — CID 1244181

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C15H15NOS/c1-11-6-7-13-12(10-11)4-2-8-16(13)15(17)14-5-3-9-18-14/h3,5-7,9-10H,2,4,8H2,1H3
InChIKeyJQWLBRXPVGGQEN-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.65
Rot. Bonds1

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (PubChem CID 1244181) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
PubChem CID1244181
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C15H15NOS/c1-11-6-7-13-12(10-11)4-2-8-16(13)15(17)14-5-3-9-18-14/h3,5-7,9-10H,2,4,8H2,1H3
InChIKeyJQWLBRXPVGGQEN-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiofuranylfentanyl
CID 137700027
N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-(2,6-dimethylphenyl)[1-(2-thienylcarbonyl)(4-piperidyl)]carboxamide
CID 1075575
3-(4-(Dimethylamino)phenyl)-1-(2-thienyl)-2-propen-1-one
CID 5709353
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-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653
8-methyl-4-oxo-N,N-dipropyl-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6620052

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone (CID 1244181) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone is Cc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is JQWLBRXPVGGQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-6-7-13-12(10-11)4-2-8-16(13)15(17)14-5-3-9-18-14/h3,5-7,9-10H,2,4,8H2,1H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 257.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 1244181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).