6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C15H13NO3S — CID 81126938

IUPAC6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H13NO3S/c1-19-12-6-7-20-15(12)14(18)10-2-4-11-9(8-10)3-5-13(17)16-11/h2,4,6-8H,3,5H2,1H3,(H,16,17)
InChIKeyKIVNEVCDJZFONX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.87
Rot. Bonds3

About 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 81126938) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID81126938
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H13NO3S/c1-19-12-6-7-20-15(12)14(18)10-2-4-11-9(8-10)3-5-13(17)16-11/h2,4,6-8H,3,5H2,1H3,(H,16,17)
InChIKeyKIVNEVCDJZFONX-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
5-(3-ethylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79985362
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107979594
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18115743

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 81126938) is 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one is COc1ccsc1C(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KIVNEVCDJZFONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-12-6-7-20-15(12)14(18)10-2-4-11-9(8-10)3-5-13(17)16-11/h2,4,6-8H,3,5H2,1H3,(H,16,17).
What are the key properties of 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 81126938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).