8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

C18H22FN3O — CID 56627531

IUPAC8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2C[C@@H](N)[C@@H](C)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H22FN3O/c1-10-7-21(9-15(10)20)18-11(2)17-13(12-3-4-12)5-6-16(23)22(17)8-14(18)19/h5-6,8,10,12,15H,3-4,7,9,20H2,1-2H3/t10-,15+/m0/s1
InChIKeyLYPJYWSMFIKEIN-ZUZCIYMTSA-N
MW315.39 g/mol
LogP2.41
Rot. Bonds2

About 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 56627531) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID56627531
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2C[C@@H](N)[C@@H](C)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H22FN3O/c1-10-7-21(9-15(10)20)18-11(2)17-13(12-3-4-12)5-6-16(23)22(17)8-14(18)19/h5-6,8,10,12,15H,3-4,7,9,20H2,1-2H3/t10-,15+/m0/s1
InChIKeyLYPJYWSMFIKEIN-ZUZCIYMTSA-N
XLogP2.41
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one with MolForge

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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-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
CID 56626154
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-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (CID 56627531) is 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2C[C@@H](N)[C@@H](C)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is LYPJYWSMFIKEIN-ZUZCIYMTSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-10-7-21(9-15(10)20)18-11(2)17-13(12-3-4-12)5-6-16(23)22(17)8-14(18)19/h5-6,8,10,12,15H,3-4,7,9,20H2,1-2H3/t10-,15+/m0/s1.
What are the key properties of 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 315.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 56627531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).