5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C16H16BrFN2O — CID 81107701

IUPAC5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrFN2O/c17-13-6-4-11(18)8-10(13)9-19-14-2-1-3-15-12(14)5-7-16(21)20-15/h4-8,14,19H,1-3,9H2,(H,20,21)
InChIKeyZGLPDIZTUYRCFJ-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.44
Rot. Bonds3

About 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107701) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107701
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCc1cc(F)ccc1Br
InChIInChI=1S/C16H16BrFN2O/c17-13-6-4-11(18)8-10(13)9-19-14-2-1-3-15-12(14)5-7-16(21)20-15/h4-8,14,19H,1-3,9H2,(H,20,21)
InChIKeyZGLPDIZTUYRCFJ-UHFFFAOYSA-N
XLogP3.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107701) is 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCc1cc(F)ccc1Br.
What is the InChIKey of 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ZGLPDIZTUYRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c17-13-6-4-11(18)8-10(13)9-19-14-2-1-3-15-12(14)5-7-16(21)20-15/h4-8,14,19H,1-3,9H2,(H,20,21).
What are the key properties of 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 351.22 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluorophenyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).