1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one

C16H15NO2S — CID 63097473

IUPAC1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
SMILESCc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H15NO2S/c1-10-7-8-20-16(10)15(19)12-3-5-13-11(9-12)4-6-14(18)17(13)2/h3,5,7-9H,4,6H2,1-2H3
InChIKeyPVBYKMVWSFITDC-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.20
Rot. Bonds2

About 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one

1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one (PubChem CID 63097473) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
PubChem CID63097473
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
SMILESCc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H15NO2S/c1-10-7-8-20-16(10)15(19)12-3-5-13-11(9-12)4-6-14(18)17(13)2/h3,5,7-9H,4,6H2,1-2H3
InChIKeyPVBYKMVWSFITDC-UHFFFAOYSA-N
XLogP3.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromothiophene-2-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63796681
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701
3-bromo-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propane-1,2-dione
CID 116822726
6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096091
1-methyl-6-prop-2-enoyl-3,4-dihydroquinolin-2-one
CID 82284659
6-[1-(hydroxymethyl)cyclopropanecarbonyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116921112
2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
CID 116554116
6-(2,5-dichlorothiophene-3-carbonyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 107960022
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
6-(3-amino-2-hydroxypropanoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116826594
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one (CID 63097473) is 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one is Cc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one?
The InChIKey is PVBYKMVWSFITDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-10-7-8-20-16(10)15(19)12-3-5-13-11(9-12)4-6-14(18)17(13)2/h3,5,7-9H,4,6H2,1-2H3.
What are the key properties of 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one?
1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one has a molecular weight of 285.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-methylthiophene-2-carbonyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63097473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).