1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one

C18H21FN2O — CID 141141494

IUPAC1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
SMILESCc1c(C2CCNCC2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H21FN2O/c1-11-17(13-6-8-20-9-7-13)15(19)10-21-16(22)5-4-14(18(11)21)12-2-3-12/h4-5,10,12-13,20H,2-3,6-9H2,1H3
InChIKeyBXWBLCHFADHFQQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.09
Rot. Bonds2

About 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one

1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one (PubChem CID 141141494) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
PubChem CID141141494
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one
SMILESCc1c(C2CCNCC2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H21FN2O/c1-11-17(13-6-8-20-9-7-13)15(19)10-21-16(22)5-4-14(18(11)21)12-2-3-12/h4-5,10,12-13,20H,2-3,6-9H2,1H3
InChIKeyBXWBLCHFADHFQQ-UHFFFAOYSA-N
XLogP3.09
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Cyclopropylmethyl)-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118745052
1-Cyclopropyl-7-fluoro-8-[3-(fluoromethyl)piperidin-1-yl]-9-methylquinolizin-4-one
CID 19691392
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-(3-piperidin-2-ylpiperidin-1-yl)quinolizin-4-one
CID 56615777
1-Cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
CID 56624055
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
1,2-Dihydropyridin-3-yl-[4-[[6-(3-fluorocyclohexa-2,4-dien-1-yl)-2,3-dihydroisoquinolin-8-yl]amino]piperidin-1-yl]methanone
CID 70903981
1-Cyclopropyl-7-fluoro-9-methyl-8-(4-methylpiperazin-1-yl)quinolizin-4-one
CID 88329132
3,9-dimethyl-2-(piperidin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123843475
1-Cyclopropyl-7-fluoro-3,9-dimethyl-8-piperidin-1-ylquinolizin-4-one
CID 142129500
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-(2,2,2-trifluoroethyl)cyclohexa-1,5-diene-1-carboxamide
CID 144747398

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one (CID 141141494) is 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one is Cc1c(C2CCNCC2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
The InChIKey is BXWBLCHFADHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-11-17(13-6-8-20-9-7-13)15(19)10-21-16(22)5-4-14(18(11)21)12-2-3-12/h4-5,10,12-13,20H,2-3,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one?
1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-8-piperidin-4-ylquinolizin-4-one is sourced from PubChem (CID 141141494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).