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

C16H14BrNO2 — CID 47398190

IUPAC6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCc3cccc(Br)c3)ccc2N1
InChIInChI=1S/C16H14BrNO2/c17-13-3-1-2-11(8-13)10-20-14-5-6-15-12(9-14)4-7-16(19)18-15/h1-3,5-6,8-9H,4,7,10H2,(H,18,19)
InChIKeyILXPMSORJOKCBQ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.91
Rot. Bonds3

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

6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 47398190) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID47398190
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCc3cccc(Br)c3)ccc2N1
InChIInChI=1S/C16H14BrNO2/c17-13-3-1-2-11(8-13)10-20-14-5-6-15-12(9-14)4-7-16(19)18-15/h1-3,5-6,8-9H,4,7,10H2,(H,18,19)
InChIKeyILXPMSORJOKCBQ-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 47398190) is 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCc3cccc(Br)c3)ccc2N1.
What is the InChIKey of 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ILXPMSORJOKCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-13-3-1-2-11(8-13)10-20-14-5-6-15-12(9-14)4-7-16(19)18-15/h1-3,5-6,8-9H,4,7,10H2,(H,18,19).
What are the key properties of 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 47398190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).