3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one

C18H16BrNO2 — CID 58465271

IUPAC3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1cccc2c(=O)c(-c3cccc(Br)c3)c[nH]c12
InChIInChI=1S/C18H16BrNO2/c1-2-9-22-16-8-4-7-14-17(16)20-11-15(18(14)21)12-5-3-6-13(19)10-12/h3-8,10-11H,2,9H2,1H3,(H,20,21)
InChIKeyFDOZMEKALMXDKZ-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.75
Rot. Bonds4

About 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one

3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one (PubChem CID 58465271) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one
PubChem CID58465271
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one
SMILESCCCOc1cccc2c(=O)c(-c3cccc(Br)c3)c[nH]c12
InChIInChI=1S/C18H16BrNO2/c1-2-9-22-16-8-4-7-14-17(16)20-11-15(18(14)21)12-5-3-6-13(19)10-12/h3-8,10-11H,2,9H2,1H3,(H,20,21)
InChIKeyFDOZMEKALMXDKZ-UHFFFAOYSA-N
XLogP4.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 66917298
5-methyl-3-(2-methylphenyl)-8-propoxy-1H-quinolin-4-one
CID 58465310
7-ethoxy-1H-indol-3-ol
CID 137437163
3-phenyl-4-propoxy-1H-indole
CID 90764828
8-chloro-3-(4-methoxyphenyl)-5-propoxy-1H-quinolin-4-one
CID 58465289
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
1-bromo-2,3-dipropoxybenzene
CID 91157628
3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
CID 58465292
methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
CID 66917193
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
4-(5-methylsulfonyl-2-propoxyphenyl)-2H-isoquinolin-1-one
CID 118021503
3-amino-8-methoxy-1H-quinolin-4-one
CID 115018054

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one?
The IUPAC name of 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one (CID 58465271) is 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one is CCCOc1cccc2c(=O)c(-c3cccc(Br)c3)c[nH]c12.
What is the InChIKey of 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one?
The InChIKey is FDOZMEKALMXDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-2-9-22-16-8-4-7-14-17(16)20-11-15(18(14)21)12-5-3-6-13(19)10-12/h3-8,10-11H,2,9H2,1H3,(H,20,21).
What are the key properties of 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one?
3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one has a molecular weight of 358.24 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-8-propoxy-1H-quinolin-4-one is sourced from PubChem (CID 58465271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).