8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)

C35H34Br3N3O — CID 157497175

IUPAC8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)
SMILESCc1cc(=O)c2ccc(C)c(Br)c2[nH]1.Cc1cc(C)c2ccc(C)c(Br)c2n1.Cc1cc(C)c2ccc(C)c(Br)c2n1
InChIInChI=1S/2C12H12BrN.C11H10BrNO/c2*1-7-4-5-10-8(2)6-9(3)14-12(10)11(7)13;1-6-3-4-8-9(14)5-7(2)13-11(8)10(6)12/h2*4-6H,1-3H3;3-5H,1-2H3,(H,13,14)
InChIKeyBXYYKTFSARDYIZ-UHFFFAOYSA-N
MW752.39 g/mol
LogP10.75
Rot. Bonds

About 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)

8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline) (PubChem CID 157497175) has the molecular formula C35H34Br3N3O and a molecular weight of 752.39 g/mol. Its IUPAC name is 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline).

Molecular Properties

Compound Name8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)
PubChem CID157497175
Molecular FormulaC35H34Br3N3O
Molecular Weight752.39 g/mol
Exact Mass749.03
IUPAC Name8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)
SMILESCc1cc(=O)c2ccc(C)c(Br)c2[nH]1.Cc1cc(C)c2ccc(C)c(Br)c2n1.Cc1cc(C)c2ccc(C)c(Br)c2n1
InChIInChI=1S/2C12H12BrN.C11H10BrNO/c2*1-7-4-5-10-8(2)6-9(3)14-12(10)11(7)13;1-6-3-4-8-9(14)5-7(2)13-11(8)10(6)12/h2*4-6H,1-3H3;3-5H,1-2H3,(H,13,14)
InChIKeyBXYYKTFSARDYIZ-UHFFFAOYSA-N
XLogP10.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.39
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline) with MolForge

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Related Compounds

5-bromo-N-[3-[3-[(5-bromoacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 9918211
7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one
CID 156016238
(E)-3-(2-bromophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 156018346
5,7-dibromo-3-phenyl-3,4-dihydro-2H-acridin-1-one
CID 156022125
N-(2-bromophenyl)-2-methyl-4-phenylquinoline-3-carboxamide
CID 134140553
(E)-3-(3-bromophenyl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
CID 156019249
N-(2-Bromophenyl)-2-(p-tolyl)quinoline-4-carboxamide
CID 1122096
(E)-3-(3-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-oxoprop-1-en-1-yl)quinolin-2(1H)-one
CID 5751280
9-amino-7-bromo-3-phenyl-3,4-dihydro-2H-acridin-1-one
CID 167530825
N-(4-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1122093
N-(3-bromophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3558402
Biacridone
CID 129676580

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)?
The IUPAC name of 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline) (CID 157497175) is 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline).
What is the SMILES notation for 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)?
The canonical SMILES for 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline) is Cc1cc(=O)c2ccc(C)c(Br)c2[nH]1.Cc1cc(C)c2ccc(C)c(Br)c2n1.Cc1cc(C)c2ccc(C)c(Br)c2n1.
What is the InChIKey of 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)?
The InChIKey is BXYYKTFSARDYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12BrN.C11H10BrNO/c2*1-7-4-5-10-8(2)6-9(3)14-12(10)11(7)13;1-6-3-4-8-9(14)5-7(2)13-11(8)10(6)12/h2*4-6H,1-3H3;3-5H,1-2H3,(H,13,14).
What are the key properties of 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline)?
8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline) has a molecular weight of 752.39 g/mol, XLogP of 10.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,7-dimethyl-1H-quinolin-4-one;bis(8-bromo-2,4,7-trimethylquinoline) is sourced from PubChem (CID 157497175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).