ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate

C17H21N3O3 — CID 12818609

IUPACethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC2)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-4-23-17(22)13-14(20-9-5-6-10-20)12-8-7-11(2)18-15(12)19(3)16(13)21/h7-8H,4-6,9-10H2,1-3H3
InChIKeyWQTSYSNDWXHCHT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.02
Rot. Bonds3

About ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate

ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 12818609) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate
PubChem CID12818609
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC2)c2ccc(C)nc2n(C)c1=O
InChIInChI=1S/C17H21N3O3/c1-4-23-17(22)13-14(20-9-5-6-10-20)12-8-7-11(2)18-15(12)19(3)16(13)21/h7-8H,4-6,9-10H2,1-3H3
InChIKeyWQTSYSNDWXHCHT-UHFFFAOYSA-N
XLogP2.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate (CID 12818609) is ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(N2CCCC2)c2ccc(C)nc2n(C)c1=O.
What is the InChIKey of ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is WQTSYSNDWXHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-23-17(22)13-14(20-9-5-6-10-20)12-8-7-11(2)18-15(12)19(3)16(13)21/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate?
ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,7-dimethyl-2-oxo-4-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).