1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one

C25H21BrFNO4 — CID 132527692

IUPAC1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)c(-c1ccc(F)cc1)c(Br)c(=O)n2Cc1ccccc1
InChIInChI=1S/C25H21BrFNO4/c1-30-19-13-18-21(24(32-3)23(19)31-2)20(16-9-11-17(27)12-10-16)22(26)25(29)28(18)14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKeyFBDILOKQHXWNNJ-UHFFFAOYSA-N
MW498.35 g/mol
LogP5.64
Rot. Bonds6

About 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one

1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one (PubChem CID 132527692) has the molecular formula C25H21BrFNO4 and a molecular weight of 498.35 g/mol. Its IUPAC name is 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one
PubChem CID132527692
Molecular FormulaC25H21BrFNO4
Molecular Weight498.35 g/mol
Exact Mass497.06
IUPAC Name1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one
SMILESCOc1cc2c(c(OC)c1OC)c(-c1ccc(F)cc1)c(Br)c(=O)n2Cc1ccccc1
InChIInChI=1S/C25H21BrFNO4/c1-30-19-13-18-21(24(32-3)23(19)31-2)20(16-9-11-17(27)12-10-16)22(26)25(29)28(18)14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKeyFBDILOKQHXWNNJ-UHFFFAOYSA-N
XLogP5.64
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.35
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromophenyl)methyl]-4-(4-fluorophenyl)-3-methoxyquinolin-2-one
CID 142438230
methyl 1-benzyl-4-(1-benzyl-5,6-dimethoxy-2-methoxycarbonylindol-4-yl)-5,6-dimethoxyindole-2-carboxylate
CID 25140716
methyl 2-benzyl-6-chloro-4-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxylate
CID 69156801
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
1-[(3-chlorophenyl)methyl]-3,6-dimethoxy-4-phenylquinolin-2-one
CID 142438199
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
1-(2,1,3-benzothiadiazol-5-ylmethyl)-4,5,6-trimethoxy-3-(4-methoxyphenyl)indole-2-carboxylic acid
CID 67620492
3-methoxy-4-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one
CID 142438224
6-chloro-1-[(3,4-dichlorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438165
1-benzyl-3-(4-fluoro-3-methoxyphenyl)indole-2-carboxylic acid
CID 130234249
2-benzyl-4-iodo-6,7-dimethoxy-3-trimethylsilylisoquinolin-1-one
CID 11225645

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one?
The IUPAC name of 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one (CID 132527692) is 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one.
What is the SMILES notation for 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one?
The canonical SMILES for 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one is COc1cc2c(c(OC)c1OC)c(-c1ccc(F)cc1)c(Br)c(=O)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one?
The InChIKey is FBDILOKQHXWNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrFNO4/c1-30-19-13-18-21(24(32-3)23(19)31-2)20(16-9-11-17(27)12-10-16)22(26)25(29)28(18)14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3.
What are the key properties of 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one?
1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one has a molecular weight of 498.35 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromo-4-(4-fluorophenyl)-5,6,7-trimethoxyquinolin-2-one is sourced from PubChem (CID 132527692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).