8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

C21H28FN3O — CID 154447730

IUPAC8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCCCC(N)C1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C21H28FN3O/c1-3-4-18(23)15-9-10-24(11-15)21-13(2)20-16(14-5-6-14)7-8-19(26)25(20)12-17(21)22/h7-8,12,14-15,18H,3-6,9-11,23H2,1-2H3
InChIKeyLRWBNADQHWOPCO-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.58
Rot. Bonds5

About 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 154447730) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID154447730
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCCCC(N)C1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C21H28FN3O/c1-3-4-18(23)15-9-10-24(11-15)21-13(2)20-16(14-5-6-14)7-8-19(26)25(20)12-17(21)22/h7-8,12,14-15,18H,3-6,9-11,23H2,1-2H3
InChIKeyLRWBNADQHWOPCO-UHFFFAOYSA-N
XLogP3.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (CID 154447730) is 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is CCCC(N)C1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1.
What is the InChIKey of 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is LRWBNADQHWOPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-3-4-18(23)15-9-10-24(11-15)21-13(2)20-16(14-5-6-14)7-8-19(26)25(20)12-17(21)22/h7-8,12,14-15,18H,3-6,9-11,23H2,1-2H3.
What are the key properties of 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 357.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-aminobutyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 154447730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).