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

C16H15BrN2O2 — CID 115557423

IUPAC6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc(COc2ccc3c(c2)CCC(=O)N3)ccc1Br
InChIInChI=1S/C16H15BrN2O2/c17-13-4-1-10(7-14(13)18)9-21-12-3-5-15-11(8-12)2-6-16(20)19-15/h1,3-5,7-8H,2,6,9,18H2,(H,19,20)
InChIKeyBNXXTLQZOHCFHS-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.49
Rot. Bonds3

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

6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115557423) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115557423
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cc(COc2ccc3c(c2)CCC(=O)N3)ccc1Br
InChIInChI=1S/C16H15BrN2O2/c17-13-4-1-10(7-14(13)18)9-21-12-3-5-15-11(8-12)2-6-16(20)19-15/h1,3-5,7-8H,2,6,9,18H2,(H,19,20)
InChIKeyBNXXTLQZOHCFHS-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'}

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

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Related Compounds

6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
6-[(2-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114380710
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
6-[(6-hydrazinyl-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62244306
6-[(2-hydrazinyl-4-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62466442
6-amino-7-[(4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82805294
6-[4-(aminomethyl)-3-bromophenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 107275127
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
2-bromo-5-[(4-tert-butylphenoxy)methyl]aniline
CID 115557439
6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82804474
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 115557423) is 6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is Nc1cc(COc2ccc3c(c2)CCC(=O)N3)ccc1Br.
What is the InChIKey of 6-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BNXXTLQZOHCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-4-1-10(7-14(13)18)9-21-12-3-5-15-11(8-12)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-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[(3-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-[(3-amino-4-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115557423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).