6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one

C17H13Cl2NO3 — CID 51183735

IUPAC6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)COc3cccc(Cl)c3Cl)ccc2N1
InChIInChI=1S/C17H13Cl2NO3/c18-12-2-1-3-15(17(12)19)23-9-14(21)11-4-6-13-10(8-11)5-7-16(22)20-13/h1-4,6,8H,5,7,9H2,(H,20,22)
InChIKeyBNLUVPWREITCHN-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.14
Rot. Bonds4

About 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 51183735) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID51183735
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)COc3cccc(Cl)c3Cl)ccc2N1
InChIInChI=1S/C17H13Cl2NO3/c18-12-2-1-3-15(17(12)19)23-9-14(21)11-4-6-13-10(8-11)5-7-16(22)20-13/h1-4,6,8H,5,7,9H2,(H,20,22)
InChIKeyBNLUVPWREITCHN-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-formyl-3-[2-oxo-2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)ethoxy]phenyl]boronic acid
CID 167793493
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103160
6-[2-[4-nitro-2-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 60605048
6-(2-pyrimidin-2-ylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 116833046
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 115937318
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101172
N-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 172894844
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] cyclohex-3-ene-1-carboxylate
CID 46811377

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 51183735) is 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)COc3cccc(Cl)c3Cl)ccc2N1.
What is the InChIKey of 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BNLUVPWREITCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c18-12-2-1-3-15(17(12)19)23-9-14(21)11-4-6-13-10(8-11)5-7-16(22)20-13/h1-4,6,8H,5,7,9H2,(H,20,22).
What are the key properties of 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dichlorophenoxy)acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 51183735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).