6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one

C15H13ClN2O2 — CID 43455658

IUPAC6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Oc1ccc(Cl)cc1)NC(=O)CC2
InChIInChI=1S/C15H13ClN2O2/c16-10-2-4-11(5-3-10)20-14-8-13-9(7-12(14)17)1-6-15(19)18-13/h2-5,7-8H,1,6,17H2,(H,18,19)
InChIKeyADMDLTMNUCYTHN-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.60
Rot. Bonds2

About 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455658) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455658
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1Oc1ccc(Cl)cc1)NC(=O)CC2
InChIInChI=1S/C15H13ClN2O2/c16-10-2-4-11(5-3-10)20-14-8-13-9(7-12(14)17)1-6-15(19)18-13/h2-5,7-8H,1,6,17H2,(H,18,19)
InChIKeyADMDLTMNUCYTHN-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-6-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449952
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
6-amino-7-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649793
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649473
6-amino-7-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455648
5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
CID 43451950
7-amino-6-(3-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449965
6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 107655515
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388
7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449941
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
3-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 43449983

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one (CID 43455658) is 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1Oc1ccc(Cl)cc1)NC(=O)CC2.
What is the InChIKey of 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ADMDLTMNUCYTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-10-2-4-11(5-3-10)20-14-8-13-9(7-12(14)17)1-6-15(19)18-13/h2-5,7-8H,1,6,17H2,(H,18,19).
What are the key properties of 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.73 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).