6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C16H15FN2O2 — CID 43723932

IUPAC6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCc3cccc(O)c3)cc2N1
InChIInChI=1S/C16H15FN2O2/c17-13-7-11-4-5-16(21)19-14(11)8-15(13)18-9-10-2-1-3-12(20)6-10/h1-3,6-8,18,20H,4-5,9H2,(H,19,21)
InChIKeyMOHVNSWRLUVSHK-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.03
Rot. Bonds3

About 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43723932) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43723932
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCc3cccc(O)c3)cc2N1
InChIInChI=1S/C16H15FN2O2/c17-13-7-11-4-5-16(21)19-14(11)8-15(13)18-9-10-2-1-3-12(20)6-10/h1-3,6-8,18,20H,4-5,9H2,(H,19,21)
InChIKeyMOHVNSWRLUVSHK-UHFFFAOYSA-N
XLogP3.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 115938007
6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
7-fluoro-6-(3-hydroxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 167949559
7-[(5-chloro-1,3-thiazol-2-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 104921679
6-fluoro-7-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 66116626
N-[(3-chlorophenyl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 55874005
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 81412914
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43723932) is 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(F)c(NCc3cccc(O)c3)cc2N1.
What is the InChIKey of 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MOHVNSWRLUVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-7-11-4-5-16(21)19-14(11)8-15(13)18-9-10-2-1-3-12(20)6-10/h1-3,6-8,18,20H,4-5,9H2,(H,19,21).
What are the key properties of 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 286.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43723932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).