6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one

C16H15BrN2O2 — CID 107275127

IUPAC6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNCc1ccc(Oc2ccc3c(c2)CCC(=O)N3)cc1Br
InChIInChI=1S/C16H15BrN2O2/c17-14-8-13(3-1-11(14)9-18)21-12-4-5-15-10(7-12)2-6-16(20)19-15/h1,3-5,7-8H,2,6,9,18H2,(H,19,20)
InChIKeyYIBDEQWMDRIUGL-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.58
Rot. Bonds3

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

6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107275127) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID107275127
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNCc1ccc(Oc2ccc3c(c2)CCC(=O)N3)cc1Br
InChIInChI=1S/C16H15BrN2O2/c17-14-8-13(3-1-11(14)9-18)21-12-4-5-15-10(7-12)2-6-16(20)19-15/h1,3-5,7-8H,2,6,9,18H2,(H,19,20)
InChIKeyYIBDEQWMDRIUGL-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(aminomethyl)-4-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114889839
6-[[6-(aminomethyl)-3-pyridinyl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 115487140
6-[2-(aminomethyl)-4-chlorophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62493675
6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114380710
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 63867081
6-(1-amino-2-methylpropan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 113422602
6-(4-amino-2-fluorophenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 28972700
6-[(6-methoxy-3-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 166453240
6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115557423
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
6-[3-fluoro-5-(hydroxymethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 106530107

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one (CID 107275127) is 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one is NCc1ccc(Oc2ccc3c(c2)CCC(=O)N3)cc1Br.
What is the InChIKey of 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YIBDEQWMDRIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-14-8-13(3-1-11(14)9-18)21-12-4-5-15-10(7-12)2-6-16(20)19-15/h1,3-5,7-8H,2,6,9,18H2,(H,19,20).
What are the key properties of 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 347.21 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107275127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).