6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one

C15H14BrN3O — CID 115125297

IUPAC6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2c1ccc(Br)cc1N
InChIInChI=1S/C15H14BrN3O/c16-10-2-4-14(12(18)8-10)19-13-5-3-11(17)7-9(13)1-6-15(19)20/h2-5,7-8H,1,6,17-18H2
InChIKeyYBVVOWGFVORZGM-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.22
Rot. Bonds1

About 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one

6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one (PubChem CID 115125297) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one
PubChem CID115125297
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one
SMILESNc1ccc2c(c1)CCC(=O)N2c1ccc(Br)cc1N
InChIInChI=1S/C15H14BrN3O/c16-10-2-4-14(12(18)8-10)19-13-5-3-11(17)7-9(13)1-6-15(19)20/h2-5,7-8H,1,6,17-18H2
InChIKeyYBVVOWGFVORZGM-UHFFFAOYSA-N
XLogP3.22
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one
CID 117041603
1-(2-amino-4-bromophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62931389
2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437122
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
6-amino-1-(azetidin-3-yl)-3,4-dihydroquinolin-2-one
CID 117040514
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-3-methylbutanoic acid
CID 115219709
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
6-amino-1-[(1-aminocyclopropyl)methyl]-3,4-dihydroquinolin-2-one
CID 115256369
6-amino-1-(4-hydroxycyclohexyl)-3,4-dihydroquinolin-2-one
CID 115149339
2-(2-amino-4-bromophenyl)-3,4-dihydroisoquinolin-1-one
CID 83084687
4-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)butanenitrile
CID 43446567
1-(2-amino-4-bromophenyl)-4-hydroxypyrrolidin-2-one
CID 168703480

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one (CID 115125297) is 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one is Nc1ccc2c(c1)CCC(=O)N2c1ccc(Br)cc1N.
What is the InChIKey of 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one?
The InChIKey is YBVVOWGFVORZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-10-2-4-14(12(18)8-10)19-13-5-3-11(17)7-9(13)1-6-15(19)20/h2-5,7-8H,1,6,17-18H2.
What are the key properties of 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one?
6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one has a molecular weight of 332.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-amino-4-bromophenyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 115125297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).