2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one

C21H22FN3O2 — CID 123422122

IUPAC2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNC(C)C4)ccc3c2)cc1F
InChIInChI=1S/C21H22FN3O2/c1-14-12-24(8-7-23-14)18-5-4-17-9-16(11-21(26)25(17)13-18)15-3-6-20(27-2)19(22)10-15/h3-6,9-11,13-14,23H,7-8,12H2,1-2H3
InChIKeyGYULFQQEMOMYRF-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.91
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one

2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one (PubChem CID 123422122) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one
PubChem CID123422122
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one
SMILESCOc1ccc(-c2cc(=O)n3cc(N4CCNC(C)C4)ccc3c2)cc1F
InChIInChI=1S/C21H22FN3O2/c1-14-12-24(8-7-23-14)18-5-4-17-9-16(11-21(26)25(17)13-18)15-3-6-20(27-2)19(22)10-15/h3-6,9-11,13-14,23H,7-8,12H2,1-2H3
InChIKeyGYULFQQEMOMYRF-UHFFFAOYSA-N
XLogP2.91
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one (CID 123422122) is 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one is COc1ccc(-c2cc(=O)n3cc(N4CCNC(C)C4)ccc3c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one?
The InChIKey is GYULFQQEMOMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-12-24(8-7-23-14)18-5-4-17-9-16(11-21(26)25(17)13-18)15-3-6-20(27-2)19(22)10-15/h3-6,9-11,13-14,23H,7-8,12H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one?
2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one has a molecular weight of 367.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-7-(3-methylpiperazin-1-yl)quinolizin-4-one is sourced from PubChem (CID 123422122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).