6-bromo-7-phenyl-1H-quinolin-4-one

C15H10BrNO — CID 137423276

IUPAC6-bromo-7-phenyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(-c3ccccc3)c(Br)cc12
InChIInChI=1S/C15H10BrNO/c16-13-8-12-14(17-7-6-15(12)18)9-11(13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyHEEVRIOXJROJOC-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.96
Rot. Bonds1

About 6-bromo-7-phenyl-1H-quinolin-4-one

6-bromo-7-phenyl-1H-quinolin-4-one (PubChem CID 137423276) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-bromo-7-phenyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-7-phenyl-1H-quinolin-4-one
PubChem CID137423276
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name6-bromo-7-phenyl-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(-c3ccccc3)c(Br)cc12
InChIInChI=1S/C15H10BrNO/c16-13-8-12-14(17-7-6-15(12)18)9-11(13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyHEEVRIOXJROJOC-UHFFFAOYSA-N
XLogP3.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Amino-4-bromoanthraquinone
CID 627326
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
5-Benzyl-quinolin-4-ol
CID 656232
2-(4-Bromo-phenylamino)-1-p-tolyl-ethanone
CID 788612
6-Bromo-2-methyl-3-propylquinolin-4-ol
CID 826108
6-Bromo-3-isobutyl-2-methylquinolin-4-ol
CID 907073
ST50264022
CID 776243

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-phenyl-1H-quinolin-4-one?
The IUPAC name of 6-bromo-7-phenyl-1H-quinolin-4-one (CID 137423276) is 6-bromo-7-phenyl-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-7-phenyl-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-7-phenyl-1H-quinolin-4-one is O=c1cc[nH]c2cc(-c3ccccc3)c(Br)cc12.
What is the InChIKey of 6-bromo-7-phenyl-1H-quinolin-4-one?
The InChIKey is HEEVRIOXJROJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-13-8-12-14(17-7-6-15(12)18)9-11(13)10-4-2-1-3-5-10/h1-9H,(H,17,18).
What are the key properties of 6-bromo-7-phenyl-1H-quinolin-4-one?
6-bromo-7-phenyl-1H-quinolin-4-one has a molecular weight of 300.16 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-phenyl-1H-quinolin-4-one is sourced from PubChem (CID 137423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).