7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one

C16H15FN2O2 — CID 63933837

IUPAC7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCc1ccccc1F)CCC(=O)N2
InChIInChI=1S/C16H15FN2O2/c17-12-4-2-1-3-11(12)9-21-15-7-10-5-6-16(20)19-14(10)8-13(15)18/h1-4,7-8H,5-6,9,18H2,(H,19,20)
InChIKeyATHVIUOWWMXHHG-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.87
Rot. Bonds3

About 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63933837) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID63933837
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc2c(cc1OCc1ccccc1F)CCC(=O)N2
InChIInChI=1S/C16H15FN2O2/c17-12-4-2-1-3-11(12)9-21-15-7-10-5-6-16(20)19-14(10)8-13(15)18/h1-4,7-8H,5-6,9,18H2,(H,19,20)
InChIKeyATHVIUOWWMXHHG-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 63933837) is 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is Nc1cc2c(cc1OCc1ccccc1F)CCC(=O)N2.
What is the InChIKey of 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ATHVIUOWWMXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-4-2-1-3-11(12)9-21-15-7-10-5-6-16(20)19-14(10)8-13(15)18/h1-4,7-8H,5-6,9,18H2,(H,19,20).
What are the key properties of 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 286.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63933837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).