1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one

C23H30FN3O — CID 56615777

IUPAC1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one
SMILESCc1c(N2CCCC(C3CCCCN3)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C23H30FN3O/c1-15-22-18(16-7-8-16)9-10-21(28)27(22)14-19(24)23(15)26-12-4-5-17(13-26)20-6-2-3-11-25-20/h9-10,14,16-17,20,25H,2-8,11-13H2,1H3
InChIKeyTZAYWUVYRFIFIT-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.98
Rot. Bonds3

About 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one

1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one (PubChem CID 56615777) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one
PubChem CID56615777
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one
SMILESCc1c(N2CCCC(C3CCCCN3)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C23H30FN3O/c1-15-22-18(16-7-8-16)9-10-21(28)27(22)14-19(24)23(15)26-12-4-5-17(13-26)20-6-2-3-11-25-20/h9-10,14,16-17,20,25H,2-8,11-13H2,1H3
InChIKeyTZAYWUVYRFIFIT-UHFFFAOYSA-N
XLogP3.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56609421
1-Cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
CID 141141494
8-[3-(1-Aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 154447730
1-methyl-5-[(E)-2-[2-(2-piperidin-4-ylethyl)cyclopropyl]prop-1-enyl]pyridin-2-one
CID 159722729
ethane;5-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)-1H-pyridin-2-one
CID 162524250
5-(2-methyl-2-azabicyclo[2.2.2]oct-5-en-3-yl)-1H-pyridin-2-one
CID 162524251
methane;5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one
CID 162524268
5-(2-methyl-2-azabicyclo[2.2.2]octan-3-yl)-1H-pyridin-2-one
CID 162524269
5-[(1-methylpiperidin-3-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108716
5-[(1,3-dimethylpiperidin-4-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 115714380
(1R,8S,9S)-8-(3-methylbutyl)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
CID 162633772
(1R,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one hydrochloride
CID 163314775

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one (CID 56615777) is 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one is Cc1c(N2CCCC(C3CCCCN3)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one?
The InChIKey is TZAYWUVYRFIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-15-22-18(16-7-8-16)9-10-21(28)27(22)14-19(24)23(15)26-12-4-5-17(13-26)20-6-2-3-11-25-20/h9-10,14,16-17,20,25H,2-8,11-13H2,1H3.
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one?
1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one has a molecular weight of 383.51 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-8-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one is sourced from PubChem (CID 56615777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).