1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one

C18H22FN3O — CID 57175743

IUPAC1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one
SMILESCN[C@H]1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C18H22FN3O/c1-11-17-14(12-3-4-12)5-6-16(23)22(17)10-15(19)18(11)21-8-7-13(9-21)20-2/h5-6,10,12-13,20H,3-4,7-9H2,1-2H3/t13-/m0/s1
InChIKeyRSZANJVVEKEBNO-ZDUSSCGKSA-N
MW315.39 g/mol
LogP2.42
Rot. Bonds3

About 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one

1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one (PubChem CID 57175743) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one
PubChem CID57175743
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one
SMILESCN[C@H]1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1
InChIInChI=1S/C18H22FN3O/c1-11-17-14(12-3-4-12)5-6-16(23)22(17)10-15(19)18(11)21-8-7-13(9-21)20-2/h5-6,10,12-13,20H,3-4,7-9H2,1-2H3/t13-/m0/s1
InChIKeyRSZANJVVEKEBNO-ZDUSSCGKSA-N
XLogP2.42
TPSA36.75 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one (CID 57175743) is 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one is CN[C@H]1CCN(c2c(F)cn3c(=O)ccc(C4CC4)c3c2C)C1.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one?
The InChIKey is RSZANJVVEKEBNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11-17-14(12-3-4-12)5-6-16(23)22(17)10-15(19)18(11)21-8-7-13(9-21)20-2/h5-6,10,12-13,20H,3-4,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one?
1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one has a molecular weight of 315.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methyl-8-[(3S)-3-(methylamino)pyrrolidin-1-yl]quinolizin-4-one is sourced from PubChem (CID 57175743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).