3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one

C15H10Br2N2O — CID 166439878

IUPAC3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one
SMILESNc1c(-c2ccc(Br)cc2Br)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H10Br2N2O/c16-8-5-6-9(11(17)7-8)14-13(18)15(20)10-3-1-2-4-12(10)19-14/h1-7H,18H2,(H,19,20)
InChIKeyVDKQWENVQQOHCK-UHFFFAOYSA-N
MW394.07 g/mol
LogP4.30
Rot. Bonds1

About 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one

3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one (PubChem CID 166439878) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one
PubChem CID166439878
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one
SMILESNc1c(-c2ccc(Br)cc2Br)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H10Br2N2O/c16-8-5-6-9(11(17)7-8)14-13(18)15(20)10-3-1-2-4-12(10)19-14/h1-7H,18H2,(H,19,20)
InChIKeyVDKQWENVQQOHCK-UHFFFAOYSA-N
XLogP4.30
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
CID 11630194
10H-acridin-9-one
CID 22753806
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
(2,4-dibromophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 107949694
10H-acridin-9-one;ethane
CID 91525380
7,24-dibromo-3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-1,4(9),5,7,10(36),11,13,15,18,21(26),22,24,27(35),28,30,32-hexadecaene-17,34-dione
CID 89336176
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
7-bromo-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,14,16,18-octaen-12-one
CID 155137725
6-bromo-4-naphthalen-1-yl-1H-quinolin-2-one
CID 25258121
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
2-(3-benzyl-1H-indol-2-yl)-4,6-dibromophenol
CID 142650100
16-bromo-3-aza-13-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-20-one bromide
CID 24770253

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one?
The IUPAC name of 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one (CID 166439878) is 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one is Nc1c(-c2ccc(Br)cc2Br)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one?
The InChIKey is VDKQWENVQQOHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-8-5-6-9(11(17)7-8)14-13(18)15(20)10-3-1-2-4-12(10)19-14/h1-7H,18H2,(H,19,20).
What are the key properties of 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one?
3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one has a molecular weight of 394.07 g/mol, XLogP of 4.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dibromophenyl)-1H-quinolin-4-one is sourced from PubChem (CID 166439878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).