tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C13H18N2O2 — CID 11831362

IUPACtert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cccnc21
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-5-7-10-6-4-8-14-11(10)15/h4,6,8H,5,7,9H2,1-3H3
InChIKeyHFYKFRBQZCCJRD-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.77
Rot. Bonds

About tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 11831362) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID11831362
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nametert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2cccnc21
InChIInChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-5-7-10-6-4-8-14-11(10)15/h4,6,8H,5,7,9H2,1-3H3
InChIKeyHFYKFRBQZCCJRD-UHFFFAOYSA-N
XLogP2.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 130140958
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
tert-butyl 8-cyano-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83445612
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]acetate
CID 22319471
tert-butyl 8-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83904337
tert-butyl 7-(4-hydroxy-2,4-dimethylpentan-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 142348393
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
tert-butyl 7-[(2S)-1-aminopropan-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 97135982
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]acetic acid
CID 167723595
tert-butyl 7-chloro-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl N-(6-chloro-2-pyridinyl)carbamate
CID 159922696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 11831362) is tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCCc2cccnc21.
What is the InChIKey of tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is HFYKFRBQZCCJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-5-7-10-6-4-8-14-11(10)15/h4,6,8H,5,7,9H2,1-3H3.
What are the key properties of tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 11831362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).