6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

C15H12ClNO3S — CID 43799668

IUPAC6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)c3ccc(Cl)s3)ccc2N1
InChIInChI=1S/C15H12ClNO3S/c16-14-5-4-13(21-14)12(18)8-20-10-2-3-11-9(7-10)1-6-15(19)17-11/h2-5,7H,1,6,8H2,(H,17,19)
InChIKeyVNROTXFIGMFXSM-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.55
Rot. Bonds4

About 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43799668) has the molecular formula C15H12ClNO3S and a molecular weight of 321.79 g/mol. Its IUPAC name is 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43799668
Molecular FormulaC15H12ClNO3S
Molecular Weight321.79 g/mol
Exact Mass321.02
IUPAC Name6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)c3ccc(Cl)s3)ccc2N1
InChIInChI=1S/C15H12ClNO3S/c16-14-5-4-13(21-14)12(18)8-20-10-2-3-11-9(7-10)1-6-15(19)17-11/h2-5,7H,1,6,8H2,(H,17,19)
InChIKeyVNROTXFIGMFXSM-UHFFFAOYSA-N
XLogP3.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-(1-adamantyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 24650546
6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167855339
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
5-(4-fluorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]thiophene-2-carboxamide
CID 78891974
(2-chloro-6-fluorophenyl)methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 55528236
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648
7-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939921
[4-(4-fluorobenzoyl)phenyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 39976920
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 43799668) is 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCC(=O)c3ccc(Cl)s3)ccc2N1.
What is the InChIKey of 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VNROTXFIGMFXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S/c16-14-5-4-13(21-14)12(18)8-20-10-2-3-11-9(7-10)1-6-15(19)17-11/h2-5,7H,1,6,8H2,(H,17,19).
What are the key properties of 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 321.79 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43799668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).