8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

C17H20FN3O2 — CID 56625287

IUPAC8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC(N)C(O)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C17H20FN3O2/c1-9-16-11(10-2-3-10)4-5-15(23)21(16)6-12(18)17(9)20-7-13(19)14(22)8-20/h4-6,10,13-14,22H,2-3,7-8,19H2,1H3
InChIKeyVZLFQWNBFMDPSQ-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.13
Rot. Bonds2

About 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 56625287) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID56625287
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC(N)C(O)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C17H20FN3O2/c1-9-16-11(10-2-3-10)4-5-15(23)21(16)6-12(18)17(9)20-7-13(19)14(22)8-20/h4-6,10,13-14,22H,2-3,7-8,19H2,1H3
InChIKeyVZLFQWNBFMDPSQ-UHFFFAOYSA-N
XLogP1.13
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-Amino-4-hydroxy-pyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid
CID 488569
1-Cyclopropyl-7-fluoro-8-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-9-methyl-4-oxo-quinolizine-3-carboxylic acid
CID 488573
8-(3-Amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 488570
1-Cyclopropyl-7-fluoro-8-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 488574
[8-(3-Amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizin-3-yl] hydrogen carbonate
CID 17876826
[1-Cyclopropyl-7-fluoro-8-[3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-9-methyl-4-oxoquinolizin-3-yl] hydrogen carbonate
CID 17876832
[8-(3-Amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizin-3-yl] hydrogen carbonate
CID 17876864
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

Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (CID 56625287) is 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2CC(N)C(O)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is VZLFQWNBFMDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-9-16-11(10-2-3-10)4-5-15(23)21(16)6-12(18)17(9)20-7-13(19)14(22)8-20/h4-6,10,13-14,22H,2-3,7-8,19H2,1H3.
What are the key properties of 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 317.36 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 56625287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).