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

C16H15FN2O2 — CID 107655515

IUPAC6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(Oc2cc3c(cc2N)CCC(=O)N3)c1F
InChIInChI=1S/C16H15FN2O2/c1-9-3-2-4-13(16(9)17)21-14-8-12-10(7-11(14)18)5-6-15(20)19-12/h2-4,7-8H,5-6,18H2,1H3,(H,19,20)
InChIKeyWAMRLEZBQKLRRX-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.39
Rot. Bonds2

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

6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107655515) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID107655515
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(Oc2cc3c(cc2N)CCC(=O)N3)c1F
InChIInChI=1S/C16H15FN2O2/c1-9-3-2-4-13(16(9)17)21-14-8-12-10(7-11(14)18)5-6-15(20)19-12/h2-4,7-8H,5-6,18H2,1H3,(H,19,20)
InChIKeyWAMRLEZBQKLRRX-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.39
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

6-amino-7-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455648
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
7-amino-6-(2,4-difluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449941
7-amino-6-(3-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449965
6-amino-7-(4-chlorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455658
6-amino-7-trimethylsilyloxy-3,4-dihydro-1H-quinolin-2-one
CID 167723388
7-amino-6-(4-methylsulfanylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 63649473
3-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]benzonitrile
CID 43449983
6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82804474
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958
6-amino-7-heptoxy-3,4-dihydro-1H-quinolin-2-one
CID 43455700
7-amino-6-[(2-fluorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63933837

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one (CID 107655515) is 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one is Cc1cccc(Oc2cc3c(cc2N)CCC(=O)N3)c1F.
What is the InChIKey of 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WAMRLEZBQKLRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9-3-2-4-13(16(9)17)21-14-8-12-10(7-11(14)18)5-6-15(20)19-12/h2-4,7-8H,5-6,18H2,1H3,(H,19,20).
What are the key properties of 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 286.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107655515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).