tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

C15H22N2O2 — CID 59665455

IUPACtert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2C
InChIInChI=1S/C15H22N2O2/c1-10-8-9-17(14(18)19-15(3,4)5)13-12(10)7-6-11(2)16-13/h6-7,10H,8-9H2,1-5H3
InChIKeyWYQFYEWBJDOHFZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.64
Rot. Bonds

About tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (PubChem CID 59665455) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
PubChem CID59665455
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SMILESCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2C
InChIInChI=1S/C15H22N2O2/c1-10-8-9-17(14(18)19-15(3,4)5)13-12(10)7-6-11(2)16-13/h6-7,10H,8-9H2,1-5H3
InChIKeyWYQFYEWBJDOHFZ-UHFFFAOYSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-[4-(2-methoxyethylamino)butyl]-4-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 176962467
tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86337029
tert-butyl 4-[1-(3-fluoro-6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1-carboxylate
CID 24960702
tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 130140958
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl (4S)-4-methyl-6-propanoyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 158764462
tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate
CID 172639063
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 155571856
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
tert-butyl (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 67116757
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate (CID 59665455) is tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2C.
What is the InChIKey of tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
The InChIKey is WYQFYEWBJDOHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-9-17(14(18)19-15(3,4)5)13-12(10)7-6-11(2)16-13/h6-7,10H,8-9H2,1-5H3.
What are the key properties of tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate?
tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 59665455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).