6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate

C13H16ClNO3 — CID 161287321

IUPAC6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate
SMILESCCOC(C)=O.O=C1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C9H8ClNO.C4H8O2/c10-7-2-3-8-6(5-7)1-4-9(12)11-8;1-3-6-4(2)5/h2-3,5H,1,4H2,(H,11,12);3H2,1-2H3
InChIKeyVFWVAZUINSSFPC-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.79
Rot. Bonds1

About 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate

6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate (PubChem CID 161287321) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate.

Molecular Properties

Compound Name6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate
PubChem CID161287321
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate
SMILESCCOC(C)=O.O=C1CCc2cc(Cl)ccc2N1
InChIInChI=1S/C9H8ClNO.C4H8O2/c10-7-2-3-8-6(5-7)1-4-9(12)11-8;1-3-6-4(2)5/h2-3,5H,1,4H2,(H,11,12);3H2,1-2H3
InChIKeyVFWVAZUINSSFPC-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
CID 115257291
5-chloro-1,3-dihydroindol-2-one;ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
CID 175425142
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate
CID 13136738
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 30375883
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
ethyl 4-[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]piperazine-1-carboxylate;hydrochloride
CID 13136739
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
ethyl 7-chloro-5-hydroxy-2-oxo-1,3-dihydro-1-benzazepine-4-carboxylate
CID 69283882

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate?
The IUPAC name of 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate (CID 161287321) is 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate.
What is the SMILES notation for 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate?
The canonical SMILES for 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate is CCOC(C)=O.O=C1CCc2cc(Cl)ccc2N1.
What is the InChIKey of 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate?
The InChIKey is VFWVAZUINSSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO.C4H8O2/c10-7-2-3-8-6(5-7)1-4-9(12)11-8;1-3-6-4(2)5/h2-3,5H,1,4H2,(H,11,12);3H2,1-2H3.
What are the key properties of 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate?
6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate has a molecular weight of 269.73 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,4-dihydro-1H-quinolin-2-one;ethyl acetate is sourced from PubChem (CID 161287321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).