6-bromo-5,7-dimethyl-1H-quinolin-4-one

C11H10BrNO — CID 107577348

IUPAC6-bromo-5,7-dimethyl-1H-quinolin-4-one
SMILESCc1cc2[nH]ccc(=O)c2c(C)c1Br
InChIInChI=1S/C11H10BrNO/c1-6-5-8-10(7(2)11(6)12)9(14)3-4-13-8/h3-5H,1-2H3,(H,13,14)
InChIKeyNGUUVACEHNRIPU-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.91
Rot. Bonds

About 6-bromo-5,7-dimethyl-1H-quinolin-4-one

6-bromo-5,7-dimethyl-1H-quinolin-4-one (PubChem CID 107577348) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 6-bromo-5,7-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-5,7-dimethyl-1H-quinolin-4-one
PubChem CID107577348
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name6-bromo-5,7-dimethyl-1H-quinolin-4-one
SMILESCc1cc2[nH]ccc(=O)c2c(C)c1Br
InChIInChI=1S/C11H10BrNO/c1-6-5-8-10(7(2)11(6)12)9(14)3-4-13-8/h3-5H,1-2H3,(H,13,14)
InChIKeyNGUUVACEHNRIPU-UHFFFAOYSA-N
XLogP2.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromo-2-methylquinolin-4-ol
CID 2905902
9,10-Anthracenedione, 1-bromo-4-(methylamino)-
CID 31418
7-Bromo-1,3,4,10-tetrahydro-2H-acridin-9-one
CID 655308
6-bromo-3-pentanoyl-1H-quinolin-4-one
CID 44560520
3-[(4-Bromo-3-methylphenyl)amino]-1-phenyl-2-propen-1-one
CID 2267831
Quinolin-4-ol, 3-allyl-5-bromo-2-methyl-
CID 621787
6-Bromo-2-methyl-3-propylquinolin-4-ol
CID 826108
6-Bromo-3-isobutyl-2-methylquinolin-4-ol
CID 907073
8-Bromo-1,4-dihydroquinolin-4-one
CID 12403682
6-bromo-3-butyl-2-methyl-1H-quinolin-4-one
CID 1938796
3,6-Dibromo-4-hydroxy-2-methylquinoline
CID 49780798
2-(Aminomethyl)-6-bromo-4(1h)-quinolinone
CID 83527588

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-dimethyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-5,7-dimethyl-1H-quinolin-4-one (CID 107577348) is 6-bromo-5,7-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-5,7-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-5,7-dimethyl-1H-quinolin-4-one is Cc1cc2[nH]ccc(=O)c2c(C)c1Br.
What is the InChIKey of 6-bromo-5,7-dimethyl-1H-quinolin-4-one?
The InChIKey is NGUUVACEHNRIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-6-5-8-10(7(2)11(6)12)9(14)3-4-13-8/h3-5H,1-2H3,(H,13,14).
What are the key properties of 6-bromo-5,7-dimethyl-1H-quinolin-4-one?
6-bromo-5,7-dimethyl-1H-quinolin-4-one has a molecular weight of 252.11 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 107577348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).