1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one

C19H23FN2O — CID 142129500

IUPAC1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one
SMILESCc1cc(C2CC2)c2c(C)c(N3CCCCC3)c(F)cn2c1=O
InChIInChI=1S/C19H23FN2O/c1-12-10-15(14-6-7-14)17-13(2)18(21-8-4-3-5-9-21)16(20)11-22(17)19(12)23/h10-11,14H,3-9H2,1-2H3
InChIKeyCRPSLLCJMCGPCA-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.92
Rot. Bonds2

About 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one

1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one (PubChem CID 142129500) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one
PubChem CID142129500
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one
SMILESCc1cc(C2CC2)c2c(C)c(N3CCCCC3)c(F)cn2c1=O
InChIInChI=1S/C19H23FN2O/c1-12-10-15(14-6-7-14)17-13(2)18(21-8-4-3-5-9-21)16(20)11-22(17)19(12)23/h10-11,14H,3-9H2,1-2H3
InChIKeyCRPSLLCJMCGPCA-UHFFFAOYSA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one (CID 142129500) is 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one is Cc1cc(C2CC2)c2c(C)c(N3CCCCC3)c(F)cn2c1=O.
What is the InChIKey of 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one?
The InChIKey is CRPSLLCJMCGPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-12-10-15(14-6-7-14)17-13(2)18(21-8-4-3-5-9-21)16(20)11-22(17)19(12)23/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one?
1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one has a molecular weight of 314.40 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one is sourced from PubChem (CID 142129500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).