tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C16H22N2O4 — CID 26596924

IUPACtert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-9-5-6-11-7-8-12(17-14(11)18)10-13(19)21-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyIJHJVBXIXJMORX-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.48
Rot. Bonds2

About tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 26596924) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID26596924
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nametert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCOC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-9-5-6-11-7-8-12(17-14(11)18)10-13(19)21-4/h7-8H,5-6,9-10H2,1-4H3
InChIKeyIJHJVBXIXJMORX-UHFFFAOYSA-N
XLogP2.48
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 26596924) is tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is COC(=O)Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is IJHJVBXIXJMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-9-5-6-11-7-8-12(17-14(11)18)10-13(19)21-4/h7-8H,5-6,9-10H2,1-4H3.
What are the key properties of tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 26596924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).