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

C17H20FN3O — CID 56626154

IUPAC8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CCC(N)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C17H20FN3O/c1-10-16-13(11-2-3-11)4-5-15(22)21(16)9-14(18)17(10)20-7-6-12(19)8-20/h4-5,9,11-12H,2-3,6-8,19H2,1H3
InChIKeyITMMMCJEERJZMH-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.16
Rot. Bonds2

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

8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 56626154) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID56626154
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CCC(N)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C17H20FN3O/c1-10-16-13(11-2-3-11)4-5-15(22)21(16)9-14(18)17(10)20-7-6-12(19)8-20/h4-5,9,11-12H,2-3,6-8,19H2,1H3
InChIKeyITMMMCJEERJZMH-UHFFFAOYSA-N
XLogP2.16
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.16
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-8-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
CID 56621549
1-Cyclopropyl-8-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-9-methylquinolizin-4-one
CID 56624055
8-(3-Amino-4-hydroxypyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56625287
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
1-Fluoro-9-methyl-8-[3-(piperazin-1-ylmethyl)pyrrolidin-1-yl]quinolizin-4-one
CID 141141497
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
8-[3-(1-Aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 154447730
8-[3-(Aminomethyl)azetidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 154447732

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (CID 56626154) is 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2CCC(N)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is ITMMMCJEERJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-10-16-13(11-2-3-11)4-5-15(22)21(16)9-14(18)17(10)20-7-6-12(19)8-20/h4-5,9,11-12H,2-3,6-8,19H2,1H3.
What are the key properties of 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 301.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 56626154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).