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

C15H13BrFN3O — CID 115938007

IUPAC7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCc3cccc(Br)n3)cc2N1
InChIInChI=1S/C15H13BrFN3O/c16-14-3-1-2-10(19-14)8-18-13-7-12-9(6-11(13)17)4-5-15(21)20-12/h1-3,6-7,18H,4-5,8H2,(H,20,21)
InChIKeyFFEWMPNVKQDPCE-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.48
Rot. Bonds3

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

7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115938007) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID115938007
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)c(NCc3cccc(Br)n3)cc2N1
InChIInChI=1S/C15H13BrFN3O/c16-14-3-1-2-10(19-14)8-18-13-7-12-9(6-11(13)17)4-5-15(21)20-12/h1-3,6-7,18H,4-5,8H2,(H,20,21)
InChIKeyFFEWMPNVKQDPCE-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723932
6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
7-(3,3-dimethylbutylamino)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 62950028
6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910
N-[(6-bromo-2-pyridinyl)methyl]-5-chloro-2-fluoroaniline
CID 112581924
6-fluoro-7-[(1-methylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723892
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
7-[(3-ethylimidazol-4-yl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 66133394
7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126815508
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 126785303
6-[[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 99701593

Frequently Asked Questions

What is the IUPAC name of 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 115938007) is 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(F)c(NCc3cccc(Br)n3)cc2N1.
What is the InChIKey of 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FFEWMPNVKQDPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O/c16-14-3-1-2-10(19-14)8-18-13-7-12-9(6-11(13)17)4-5-15(21)20-12/h1-3,6-7,18H,4-5,8H2,(H,20,21).
What are the key properties of 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.19 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115938007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).