1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one

C19H22F2N2O — CID 19691392

IUPAC1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one
SMILESCc1c(N2CCCC(CF)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C19H22F2N2O/c1-12-18-15(14-4-5-14)6-7-17(24)23(18)11-16(21)19(12)22-8-2-3-13(9-20)10-22/h6-7,11,13-14H,2-5,8-10H2,1H3
InChIKeyIQXWFILVNKZKEI-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.81
Rot. Bonds3

About 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one

1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one (PubChem CID 19691392) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one
PubChem CID19691392
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one
SMILESCc1c(N2CCCC(CF)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C19H22F2N2O/c1-12-18-15(14-4-5-14)6-7-17(24)23(18)11-16(21)19(12)22-8-2-3-13(9-20)10-22/h6-7,11,13-14H,2-5,8-10H2,1H3
InChIKeyIQXWFILVNKZKEI-UHFFFAOYSA-N
XLogP3.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopropyl-7-fluoro-9-methyl-8-(4-methylpiperazin-1-yl)quinolizin-4-one
CID 88329132
1-Cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
CID 141141494
1-Cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one
CID 142129500
1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one
CID 149161152
1-cyclopropyl-8-[(3S)-3-[ethyl(methyl)amino]piperidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
CID 174313522
(9S)-1-fluoro-9-propan-2-yl-6,7,8,9-tetrahydroquinolizin-4-one
CID 178673738
(9R)-9-ethyl-1-fluoro-6,7,8,9-tetrahydroquinolizin-4-one
CID 178674293
(9R)-1-fluoro-9-propan-2-yl-6,7,8,9-tetrahydroquinolizin-4-one
CID 178674372
1-Fluoro-9-propan-2-yl-6,7,8,9-tetrahydroquinolizin-4-one
CID 178674485
1,5-dimethyl-5-piperidin-1-yl-7,8-dihydro-6H-quinolin-2-one
CID 19026182

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one (CID 19691392) is 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one is Cc1c(N2CCCC(CF)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one?
The InChIKey is IQXWFILVNKZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-12-18-15(14-4-5-14)6-7-17(24)23(18)11-16(21)19(12)22-8-2-3-13(9-20)10-22/h6-7,11,13-14H,2-5,8-10H2,1H3.
What are the key properties of 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one?
1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one has a molecular weight of 332.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one is sourced from PubChem (CID 19691392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).