8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

C18H22FN3O — CID 56995032

IUPAC8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2C[C@@H](N)C[C@@H]2C)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H22FN3O/c1-10-7-13(20)8-21(10)18-11(2)17-14(12-3-4-12)5-6-16(23)22(17)9-15(18)19/h5-6,9-10,12-13H,3-4,7-8,20H2,1-2H3/t10-,13-/m0/s1
InChIKeyQOIOGUWJSZPPFB-GWCFXTLKSA-N
MW315.39 g/mol
LogP2.55
Rot. Bonds2

About 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 56995032) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID56995032
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2C[C@@H](N)C[C@@H]2C)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H22FN3O/c1-10-7-13(20)8-21(10)18-11(2)17-14(12-3-4-12)5-6-16(23)22(17)9-15(18)19/h5-6,9-10,12-13H,3-4,7-8,20H2,1-2H3/t10-,13-/m0/s1
InChIKeyQOIOGUWJSZPPFB-GWCFXTLKSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (CID 56995032) is 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2C[C@@H](N)C[C@@H]2C)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is QOIOGUWJSZPPFB-GWCFXTLKSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-10-7-13(20)8-21(10)18-11(2)17-14(12-3-4-12)5-6-16(23)22(17)9-15(18)19/h5-6,9-10,12-13H,3-4,7-8,20H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 315.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 56995032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).