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

C18H22FN3O — CID 154447729

IUPAC8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CCC(CN)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H22FN3O/c1-11-17-14(13-2-3-13)4-5-16(23)22(17)10-15(19)18(11)21-7-6-12(8-20)9-21/h4-5,10,12-13H,2-3,6-9,20H2,1H3
InChIKeyDTBOQFDOLWMNOT-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.41
Rot. Bonds3

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

8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 154447729) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID154447729
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CCC(CN)C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C18H22FN3O/c1-11-17-14(13-2-3-13)4-5-16(23)22(17)10-15(19)18(11)21-7-6-12(8-20)9-21/h4-5,10,12-13H,2-3,6-9,20H2,1H3
InChIKeyDTBOQFDOLWMNOT-UHFFFAOYSA-N
XLogP2.41
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (CID 154447729) is 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2CCC(CN)C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is DTBOQFDOLWMNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11-17-14(13-2-3-13)4-5-16(23)22(17)10-15(19)18(11)21-7-6-12(8-20)9-21/h4-5,10,12-13H,2-3,6-9,20H2,1H3.
What are the key properties of 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 315.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 154447729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).