1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one

C19H25FN4O — CID 141141497

IUPAC1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one
SMILESCc1c(N2CCC(CN3CCNCC3)C2)ccn2c(=O)ccc(F)c12
InChIInChI=1S/C19H25FN4O/c1-14-17(5-9-24-18(25)3-2-16(20)19(14)24)23-8-4-15(13-23)12-22-10-6-21-7-11-22/h2-3,5,9,15,21H,4,6-8,10-13H2,1H3
InChIKeyYOFINNLHBUVZCV-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.48
Rot. Bonds3

About 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one

1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one (PubChem CID 141141497) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one.

Molecular Properties

Compound Name1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one
PubChem CID141141497
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one
SMILESCc1c(N2CCC(CN3CCNCC3)C2)ccn2c(=O)ccc(F)c12
InChIInChI=1S/C19H25FN4O/c1-14-17(5-9-24-18(25)3-2-16(20)19(14)24)23-8-4-15(13-23)12-22-10-6-21-7-11-22/h2-3,5,9,15,21H,4,6-8,10-13H2,1H3
InChIKeyYOFINNLHBUVZCV-UHFFFAOYSA-N
XLogP1.48
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
CID 56624055
8-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56626154
8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56627531
8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56995032
1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one
CID 57175743
(3S)-3-[(4-aminopiperidin-1-yl)methyl]-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4,8(12),9-triene-6,11-dione
CID 67527109
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-methyl-4-methylidene-3-[[piperidin-4-ylmethyl(prop-1-en-2-yl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 123309000
1-cyclopropyl-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-7-fluoro-9-methylquinolizin-4-one
CID 149161152
8-[3-(Aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 154447729
6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one;hydrochloride
CID 120994467
6-(2-methylpropyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 120994468
4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6-propan-2-yl-1H-pyridin-2-one;hydrochloride
CID 120996690

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one?
The IUPAC name of 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one (CID 141141497) is 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one.
What is the SMILES notation for 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one?
The canonical SMILES for 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one is Cc1c(N2CCC(CN3CCNCC3)C2)ccn2c(=O)ccc(F)c12.
What is the InChIKey of 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one?
The InChIKey is YOFINNLHBUVZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14-17(5-9-24-18(25)3-2-16(20)19(14)24)23-8-4-15(13-23)12-22-10-6-21-7-11-22/h2-3,5,9,15,21H,4,6-8,10-13H2,1H3.
What are the key properties of 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one?
1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one has a molecular weight of 344.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one is sourced from PubChem (CID 141141497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).