methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate

C20H18N2O3 — CID 86696560

IUPACmethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)c2c(C)c(-c3cccnc3)ccn2c1=O
InChIInChI=1S/C20H18N2O3/c1-12-15(14-4-3-8-21-11-14)7-9-22-18(12)16(13-5-6-13)10-17(19(22)23)20(24)25-2/h3-4,7-11,13H,5-6H2,1-2H3
InChIKeyKMXOIWUTIICXGE-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.33
Rot. Bonds3

About methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate

methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate (PubChem CID 86696560) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
PubChem CID86696560
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namemethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)c2c(C)c(-c3cccnc3)ccn2c1=O
InChIInChI=1S/C20H18N2O3/c1-12-15(14-4-3-8-21-11-14)7-9-22-18(12)16(13-5-6-13)10-17(19(22)23)20(24)25-2/h3-4,7-11,13H,5-6H2,1-2H3
InChIKeyKMXOIWUTIICXGE-UHFFFAOYSA-N
XLogP3.33
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate (CID 86696560) is methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate is COC(=O)c1cc(C2CC2)c2c(C)c(-c3cccnc3)ccn2c1=O.
What is the InChIKey of methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
The InChIKey is KMXOIWUTIICXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12-15(14-4-3-8-21-11-14)7-9-22-18(12)16(13-5-6-13)10-17(19(22)23)20(24)25-2/h3-4,7-11,13H,5-6H2,1-2H3.
What are the key properties of methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate is sourced from PubChem (CID 86696560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).