3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one

C19H18FNO3 — CID 71115976

IUPAC3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1cc(OC)c2c(C)c(Cc3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C19H18FNO3/c1-11-15(8-12-4-6-13(20)7-5-12)19(22)21-16-9-14(23-2)10-17(24-3)18(11)16/h4-7,9-10H,8H2,1-3H3,(H,21,22)
InChIKeyUDMRJYBKLRWTER-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.58
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one

3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one (PubChem CID 71115976) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one
PubChem CID71115976
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1cc(OC)c2c(C)c(Cc3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C19H18FNO3/c1-11-15(8-12-4-6-13(20)7-5-12)19(22)21-16-9-14(23-2)10-17(24-3)18(11)16/h4-7,9-10H,8H2,1-3H3,(H,21,22)
InChIKeyUDMRJYBKLRWTER-UHFFFAOYSA-N
XLogP3.58
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one (CID 71115976) is 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one is COc1cc(OC)c2c(C)c(Cc3ccc(F)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one?
The InChIKey is UDMRJYBKLRWTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-11-15(8-12-4-6-13(20)7-5-12)19(22)21-16-9-14(23-2)10-17(24-3)18(11)16/h4-7,9-10H,8H2,1-3H3,(H,21,22).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one?
3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one has a molecular weight of 327.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 71115976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).