tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate

C15H20N2O3 — CID 172639063

IUPACtert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate
SMILESCc1cc(C)c2c(n1)N(C(=O)OC(C)(C)C)CCC2=O
InChIInChI=1S/C15H20N2O3/c1-9-8-10(2)16-13-12(9)11(18)6-7-17(13)14(19)20-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyIQLLMTPSJARBDI-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.03
Rot. Bonds

About tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate

tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate (PubChem CID 172639063) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate
PubChem CID172639063
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate
SMILESCc1cc(C)c2c(n1)N(C(=O)OC(C)(C)C)CCC2=O
InChIInChI=1S/C15H20N2O3/c1-9-8-10(2)16-13-12(9)11(18)6-7-17(13)14(19)20-15(3,4)5/h8H,6-7H2,1-5H3
InChIKeyIQLLMTPSJARBDI-UHFFFAOYSA-N
XLogP3.03
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-chloro-4-methyl-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate
CID 86690274
7-[(2-methylpropan-2-yl)oxycarbonyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CID 167741125
tert-butyl 3-methylsulfanyl-5,6-dihydropyrrolo[2,3-c]pyridazine-7-carboxylate
CID 10801796
tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 104933395
tert-butyl 4,7-dimethyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 59665455
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 5-bromo-7-methyl-2,3-dihydroindole-1-carboxylate
CID 153360716
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 7-bromo-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 57366378
ditert-butyl 7,8-dimethoxy-1,5-dioxo-3,4-dihydroazepino[3,4-b]indole-2,10-dicarboxylate
CID 170859961
tert-butyl 4-(1,4-dimethylpyrazol-5-yl)-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 171506133
tert-butyl 7-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 53397403

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate (CID 172639063) is tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate is Cc1cc(C)c2c(n1)N(C(=O)OC(C)(C)C)CCC2=O.
What is the InChIKey of tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
The InChIKey is IQLLMTPSJARBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-8-10(2)16-13-12(9)11(18)6-7-17(13)14(19)20-15(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate?
tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate is sourced from PubChem (CID 172639063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).