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

C16H22N2O3 — CID 71742557

IUPACtert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCC=O)nc21
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-4-6-12-8-9-13(7-5-11-19)17-14(12)18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyZMOLHVSIRMEEPA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.90
Rot. Bonds3

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

tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 71742557) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID71742557
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ccc(CCC=O)nc21
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-4-6-12-8-9-13(7-5-11-19)17-14(12)18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyZMOLHVSIRMEEPA-UHFFFAOYSA-N
XLogP2.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 71742557) is tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCc2ccc(CCC=O)nc21.
What is the InChIKey of tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is ZMOLHVSIRMEEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-4-6-12-8-9-13(7-5-11-19)17-14(12)18/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 71742557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).