2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide

C17H18N2O2S — CID 142882807

IUPAC2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC1CC(CC(N)=O)c2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C17H18N2O2S/c1-11-9-12(10-16(18)20)13-5-2-3-6-14(13)19(11)17(21)15-7-4-8-22-15/h2-8,11-12H,9-10H2,1H3,(H2,18,20)
InChIKeyRCGCJUXLTQIYLI-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.15
Rot. Bonds3

About 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide

2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 142882807) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID142882807
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC1CC(CC(N)=O)c2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C17H18N2O2S/c1-11-9-12(10-16(18)20)13-5-2-3-6-14(13)19(11)17(21)15-7-4-8-22-15/h2-8,11-12H,9-10H2,1H3,(H2,18,20)
InChIKeyRCGCJUXLTQIYLI-UHFFFAOYSA-N
XLogP3.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 713549
N-[(2S,4S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylthiophene-2-carboxamide
CID 1108479
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
(2R,4S)-1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 95190329
(2R,4S)-2-methyl-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)-3,4-dihydro-2H-quinoline-4-carboxamide
CID 97002457
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 845075
[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl] carbamate
CID 175072095
1-[3-methyl-5-(thiophene-2-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]ethanone
CID 71993475
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-thiophen-2-ylethanone
CID 7381090
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27260871
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 142882807) is 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC1CC(CC(N)=O)c2ccccc2N1C(=O)c1cccs1.
What is the InChIKey of 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is RCGCJUXLTQIYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-9-12(10-16(18)20)13-5-2-3-6-14(13)19(11)17(21)15-7-4-8-22-15/h2-8,11-12H,9-10H2,1H3,(H2,18,20).
What are the key properties of 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide?
2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 142882807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).