tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate

C15H19BrN2O2 — CID 146463990

IUPACtert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)c2c1ncc(Br)c2C
InChIInChI=1S/C15H19BrN2O2/c1-9-6-7-18(14(19)20-15(3,4)5)13-10(2)11(16)8-17-12(9)13/h8H,1,6-7H2,2-5H3
InChIKeyCFZNBXAPTPCDID-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.31
Rot. Bonds

About tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate

tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate (PubChem CID 146463990) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate
PubChem CID146463990
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Nametert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate
SMILESC=C1CCN(C(=O)OC(C)(C)C)c2c1ncc(Br)c2C
InChIInChI=1S/C15H19BrN2O2/c1-9-6-7-18(14(19)20-15(3,4)5)13-10(2)11(16)8-17-12(9)13/h8H,1,6-7H2,2-5H3
InChIKeyCFZNBXAPTPCDID-UHFFFAOYSA-N
XLogP4.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-bromo-8-iodo-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 177197850
tert-butyl 5-bromo-7-methyl-2,3-dihydroindole-1-carboxylate
CID 153360716
tert-butyl 6-bromo-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 121207730
tert-butyl 5,7-dibromo-8-methyl-4-(8-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-2,3-dihydroquinoxaline-1-carboxylate
CID 169232556
tert-butyl 4-(5-bromo-4-methylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 168678188
7-[(2-methylpropan-2-yl)oxycarbonyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CID 167741125
tert-butyl 3-bromo-7-oxo-5H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 171487998
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate
CID 172639063
tert-butyl 5-bromo-7-(2-ethoxy-2-oxoacetyl)-2,3-dihydroindole-1-carboxylate
CID 71256018
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
tert-butyl 3-amino-5,6-dihydropyrrolo[2,3-d][1,2]oxazole-4-carboxylate
CID 82391666

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate?
The IUPAC name of tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate (CID 146463990) is tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate?
The canonical SMILES for tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate is C=C1CCN(C(=O)OC(C)(C)C)c2c1ncc(Br)c2C.
What is the InChIKey of tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate?
The InChIKey is CFZNBXAPTPCDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9-6-7-18(14(19)20-15(3,4)5)13-10(2)11(16)8-17-12(9)13/h8H,1,6-7H2,2-5H3.
What are the key properties of tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate?
tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate has a molecular weight of 339.23 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-bromo-8-methyl-4-methylidene-2,3-dihydro-1,5-naphthyridine-1-carboxylate is sourced from PubChem (CID 146463990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).