ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate

C16H19N3O3 — CID 12818607

IUPACethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC2)c2cccnc2n(C)c1=O
InChIInChI=1S/C16H19N3O3/c1-3-22-16(21)12-13(19-9-4-5-10-19)11-7-6-8-17-14(11)18(2)15(12)20/h6-8H,3-5,9-10H2,1-2H3
InChIKeyCVSSHCUZZVZYRD-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.71
Rot. Bonds3

About ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate

ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 12818607) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate
PubChem CID12818607
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC2)c2cccnc2n(C)c1=O
InChIInChI=1S/C16H19N3O3/c1-3-22-16(21)12-13(19-9-4-5-10-19)11-7-6-8-17-14(11)18(2)15(12)20/h6-8H,3-5,9-10H2,1-2H3
InChIKeyCVSSHCUZZVZYRD-UHFFFAOYSA-N
XLogP1.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate (CID 12818607) is ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N2CCCC2)c2cccnc2n(C)c1=O.
What is the InChIKey of ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is CVSSHCUZZVZYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-22-16(21)12-13(19-9-4-5-10-19)11-7-6-8-17-14(11)18(2)15(12)20/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).