8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

C20H24FN3O — CID 56609421

IUPAC8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC3CCCNC3C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C20H24FN3O/c1-12-19-15(13-4-5-13)6-7-18(25)24(19)10-16(21)20(12)23-9-14-3-2-8-22-17(14)11-23/h6-7,10,13-14,17,22H,2-5,8-9,11H2,1H3
InChIKeyOZJOOSQRCJWDOC-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.81
Rot. Bonds2

About 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one

8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one (PubChem CID 56609421) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.

Molecular Properties

Compound Name8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
PubChem CID56609421
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one
SMILESCc1c(N2CC3CCCNC3C2)c(F)cn2c(=O)ccc(C3CC3)c12
InChIInChI=1S/C20H24FN3O/c1-12-19-15(13-4-5-13)6-7-18(25)24(19)10-16(21)20(12)23-9-14-3-2-8-22-17(14)11-23/h6-7,10,13-14,17,22H,2-5,8-9,11H2,1H3
InChIKeyOZJOOSQRCJWDOC-UHFFFAOYSA-N
XLogP2.81
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The IUPAC name of 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) is 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one.
What is the SMILES notation for 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The canonical SMILES for 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is Cc1c(N2CC3CCCNC3C2)c(F)cn2c(=O)ccc(C3CC3)c12.
What is the InChIKey of 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
The InChIKey is OZJOOSQRCJWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-12-19-15(13-4-5-13)6-7-18(25)24(19)10-16(21)20(12)23-9-14-3-2-8-22-17(14)11-23/h6-7,10,13-14,17,22H,2-5,8-9,11H2,1H3.
What are the key properties of 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one?
8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one has a molecular weight of 341.43 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-7-fluoro-9-methylquinolizin-4-one is sourced from PubChem (CID 56609421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).