8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one

C14H12BrNO2 — CID 57023756

IUPAC8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one
SMILESCn1c2c(c(O)cc1=O)-c1ccc(Br)cc1CC2
InChIInChI=1S/C14H12BrNO2/c1-16-11-5-2-8-6-9(15)3-4-10(8)14(11)12(17)7-13(16)18/h3-4,6-7,17H,2,5H2,1H3
InChIKeyWQFRHARMDXIDCO-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.62
Rot. Bonds

About 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one

8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one (PubChem CID 57023756) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one.

Molecular Properties

Compound Name8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one
PubChem CID57023756
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one
SMILESCn1c2c(c(O)cc1=O)-c1ccc(Br)cc1CC2
InChIInChI=1S/C14H12BrNO2/c1-16-11-5-2-8-6-9(15)3-4-10(8)14(11)12(17)7-13(16)18/h3-4,6-7,17H,2,5H2,1H3
InChIKeyWQFRHARMDXIDCO-UHFFFAOYSA-N
XLogP2.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one?
The IUPAC name of 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one (CID 57023756) is 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one.
What is the SMILES notation for 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one?
The canonical SMILES for 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one is Cn1c2c(c(O)cc1=O)-c1ccc(Br)cc1CC2.
What is the InChIKey of 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one?
The InChIKey is WQFRHARMDXIDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-16-11-5-2-8-6-9(15)3-4-10(8)14(11)12(17)7-13(16)18/h3-4,6-7,17H,2,5H2,1H3.
What are the key properties of 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one?
8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one has a molecular weight of 306.16 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-hydroxy-4-methyl-5,6-dihydrobenzo[f]quinolin-3-one is sourced from PubChem (CID 57023756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).