tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C19H28N2O2 — CID 134394630

IUPACtert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESC=CCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C19H28N2O2/c1-5-6-7-8-11-16-13-12-15-10-9-14-21(17(15)20-16)18(22)23-19(2,3)4/h5,12-13H,1,6-11,14H2,2-4H3
InChIKeyAORLVUUXRUKIMS-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.67
Rot. Bonds5

About tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 134394630) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID134394630
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESC=CCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2
InChIInChI=1S/C19H28N2O2/c1-5-6-7-8-11-16-13-12-15-10-9-14-21(17(15)20-16)18(22)23-19(2,3)4/h5,12-13H,1,6-11,14H2,2-4H3
InChIKeyAORLVUUXRUKIMS-UHFFFAOYSA-N
XLogP4.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 134394630) is tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is C=CCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.
What is the InChIKey of tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is AORLVUUXRUKIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-5-6-7-8-11-16-13-12-15-10-9-14-21(17(15)20-16)18(22)23-19(2,3)4/h5,12-13H,1,6-11,14H2,2-4H3.
What are the key properties of tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 316.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-hex-5-enyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 134394630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).