ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate

C18H23N3O3 — CID 10496600

IUPACethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(CC)c2cc(N3CCC(N)C3)ccn2c1=O
InChIInChI=1S/C18H23N3O3/c1-3-12-9-15(18(23)24-4-2)17(22)21-8-6-14(10-16(12)21)20-7-5-13(19)11-20/h6,8-10,13H,3-5,7,11,19H2,1-2H3
InChIKeyJGRNTBZKHHKLFZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.58
Rot. Bonds4

About ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate

ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate (PubChem CID 10496600) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate
PubChem CID10496600
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate
SMILESCCOC(=O)c1cc(CC)c2cc(N3CCC(N)C3)ccn2c1=O
InChIInChI=1S/C18H23N3O3/c1-3-12-9-15(18(23)24-4-2)17(22)21-8-6-14(10-16(12)21)20-7-5-13(19)11-20/h6,8-10,13H,3-5,7,11,19H2,1-2H3
InChIKeyJGRNTBZKHHKLFZ-UHFFFAOYSA-N
XLogP1.58
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate (CID 10496600) is ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate is CCOC(=O)c1cc(CC)c2cc(N3CCC(N)C3)ccn2c1=O.
What is the InChIKey of ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is JGRNTBZKHHKLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-12-9-15(18(23)24-4-2)17(22)21-8-6-14(10-16(12)21)20-7-5-13(19)11-20/h6,8-10,13H,3-5,7,11,19H2,1-2H3.
What are the key properties of ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate?
ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(3-aminopyrrolidin-1-yl)-1-ethyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 10496600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).