3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one

C22H23FN2O2 — CID 160948486

IUPAC3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one
SMILESCC(=O)c1cn(C(C)C)c2cc(N(C)Cc3ccccc3)c(F)cc2c1=O
InChIInChI=1S/C22H23FN2O2/c1-14(2)25-13-18(15(3)26)22(27)17-10-19(23)21(11-20(17)25)24(4)12-16-8-6-5-7-9-16/h5-11,13-14H,12H2,1-4H3
InChIKeyFHEIZAOJMXBLDD-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.56
Rot. Bonds5

About 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one

3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one (PubChem CID 160948486) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one
PubChem CID160948486
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one
SMILESCC(=O)c1cn(C(C)C)c2cc(N(C)Cc3ccccc3)c(F)cc2c1=O
InChIInChI=1S/C22H23FN2O2/c1-14(2)25-13-18(15(3)26)22(27)17-10-19(23)21(11-20(17)25)24(4)12-16-8-6-5-7-9-16/h5-11,13-14H,12H2,1-4H3
InChIKeyFHEIZAOJMXBLDD-UHFFFAOYSA-N
XLogP4.56
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one?
The IUPAC name of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one (CID 160948486) is 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one.
What is the SMILES notation for 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one?
The canonical SMILES for 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one is CC(=O)c1cn(C(C)C)c2cc(N(C)Cc3ccccc3)c(F)cc2c1=O.
What is the InChIKey of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one?
The InChIKey is FHEIZAOJMXBLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14(2)25-13-18(15(3)26)22(27)17-10-19(23)21(11-20(17)25)24(4)12-16-8-6-5-7-9-16/h5-11,13-14H,12H2,1-4H3.
What are the key properties of 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one?
3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one has a molecular weight of 366.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-7-[benzyl(methyl)amino]-6-fluoro-1-propan-2-ylquinolin-4-one is sourced from PubChem (CID 160948486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).