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

C16H15BrN2O2 — CID 114380710

IUPAC6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc(Br)ccc1COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15BrN2O2/c17-12-3-1-11(14(18)8-12)9-21-13-4-5-15-10(7-13)2-6-16(20)19-15/h1,3-5,7-8H,2,6,9,18H2,(H,19,20)
InChIKeyPBZPPVZDNMGUNQ-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.49
Rot. Bonds3

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

6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114380710) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID114380710
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc(Br)ccc1COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H15BrN2O2/c17-12-3-1-11(14(18)8-12)9-21-13-4-5-15-10(7-13)2-6-16(20)19-15/h1,3-5,7-8H,2,6,9,18H2,(H,19,20)
InChIKeyPBZPPVZDNMGUNQ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115557423
6-[2-(aminomethyl)-4-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114889839
6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 107275127
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
6-(5-bromopyrimidin-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 63867081
6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82805294
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
5-bromo-2-[(3,4-dichlorophenoxy)methyl]aniline
CID 114380825
5-bromo-2-[(3,4-dimethylphenoxy)methyl]aniline
CID 114380730
6-[(6-hydrazinyl-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62244306
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 114380710) is 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is Nc1cc(Br)ccc1COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PBZPPVZDNMGUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-12-3-1-11(14(18)8-12)9-21-13-4-5-15-10(7-13)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-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 347.21 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114380710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).