4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

C18H17BrFNO4 — CID 2984443

IUPAC4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)
InChIKeyPWBKGPVHXOKOOE-UHFFFAOYSA-N
MW410.24 g/mol
LogP4.09
Rot. Bonds4

About 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2984443) has the molecular formula C18H17BrFNO4 and a molecular weight of 410.24 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2984443
Molecular FormulaC18H17BrFNO4
Molecular Weight410.24 g/mol
Exact Mass409.03
IUPAC Name4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cc(Br)ccc1F)CC(=O)N2
InChIInChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)
InChIKeyPWBKGPVHXOKOOE-UHFFFAOYSA-N
XLogP4.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

9-(2-methoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2943604
8-(3,4,5-trimethoxyphenyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 3158408
3,4-Dihydro-6,7-dimethoxy-4-(2-(trifluoromethyl)phenyl)-2(1H)-quinolinone
CID 2938130
4-(3-Fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2939802
6,7-Dimethoxy-4-(3-methoxy-phenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3158480
9-(2-Ethoxy-phenyl)-2,3,8,9-tetrahydro-6H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 644407
9-(3-bromo-4,5-dimethoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2973056
4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydroquinolin-2(1H)-one
CID 2954653
9-(2-isopropoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2955678
8-(2,4-dimethoxyphenyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 2964925
9-(2-propoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2980758
4-(4-Bromo-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158482

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2984443) is 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1OC)C(c1cc(Br)ccc1F)CC(=O)N2.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PWBKGPVHXOKOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 410.24 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2984443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).