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

C21H20N2O3 — CID 21104489

IUPACethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(-c3cccnc3)ccn2c1=O
InChIInChI=1S/C21H20N2O3/c1-3-26-21(25)18-11-17(14-6-7-14)19-13(2)16(8-10-23(19)20(18)24)15-5-4-9-22-12-15/h4-5,8-12,14H,3,6-7H2,1-2H3
InChIKeyYMXLFJZTMOSKQT-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.72
Rot. Bonds4

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

ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate (PubChem CID 21104489) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
PubChem CID21104489
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C2CC2)c2c(C)c(-c3cccnc3)ccn2c1=O
InChIInChI=1S/C21H20N2O3/c1-3-26-21(25)18-11-17(14-6-7-14)19-13(2)16(8-10-23(19)20(18)24)15-5-4-9-22-12-15/h4-5,8-12,14H,3,6-7H2,1-2H3
InChIKeyYMXLFJZTMOSKQT-UHFFFAOYSA-N
XLogP3.72
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 45279631
CID 45279631
CID 45279815
CID 45279815
CID 11091466
CID 11091466
CID 44230519
CID 44230519
CID 44230520
CID 44230520
CID 53319068
CID 53319068
CID 53325489
CID 53325489
CID 44230518
CID 44230518
CID 53326751
CID 53326751
CID 70690174
CID 70690174
CID 479600
CID 479600
CID 12204015
CID 12204015

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
The IUPAC name of ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate (CID 21104489) is ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate is CCOC(=O)c1cc(C2CC2)c2c(C)c(-c3cccnc3)ccn2c1=O.
What is the InChIKey of ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
The InChIKey is YMXLFJZTMOSKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-26-21(25)18-11-17(14-6-7-14)19-13(2)16(8-10-23(19)20(18)24)15-5-4-9-22-12-15/h4-5,8-12,14H,3,6-7H2,1-2H3.
What are the key properties of ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate?
ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate is sourced from PubChem (CID 21104489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).