tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

C15H22N2O3 — CID 153373718

IUPACtert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOc1cc2c(cn1)CN(C(=O)OC(C)(C)C)C(C)C2
InChIInChI=1S/C15H22N2O3/c1-10-6-11-7-13(19-5)16-8-12(11)9-17(10)14(18)20-15(2,3)4/h7-8,10H,6,9H2,1-5H3
InChIKeyDVSRWFBYBASUKN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.77
Rot. Bonds1

About tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate

tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (PubChem CID 153373718) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
PubChem CID153373718
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
SMILESCOc1cc2c(cn1)CN(C(=O)OC(C)(C)C)C(C)C2
InChIInChI=1S/C15H22N2O3/c1-10-6-11-7-13(19-5)16-8-12(11)9-17(10)14(18)20-15(2,3)4/h7-8,10H,6,9H2,1-5H3
InChIKeyDVSRWFBYBASUKN-UHFFFAOYSA-N
XLogP2.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl (6S)-6-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 154631016
tert-butyl 4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 66569758
tert-butyl (2S)-4-(6-methoxypyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 86331449
tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 147795105
tert-butyl 3-methyl-7-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 126517039
tert-butyl 3-[[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methylidene]azetidine-1-carboxylate
CID 178111885
tert-butyl (6S)-2-bromo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170568083
tert-butyl 2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 168837754
tert-butyl (5S)-2-(azetidin-3-yl)-5-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 175916600
6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 75247838
tert-butyl (3R,4R)-4-[(3S)-7-chloro-3-methyl-3,4-dihydro-1H-2,6-naphthyridine-2-carbonyl]-3-(3-methylphenyl)piperidine-1-carboxylate
CID 171400736

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The IUPAC name of tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate (CID 153373718) is tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The canonical SMILES for tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is COc1cc2c(cn1)CN(C(=O)OC(C)(C)C)C(C)C2.
What is the InChIKey of tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
The InChIKey is DVSRWFBYBASUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-6-11-7-13(19-5)16-8-12(11)9-17(10)14(18)20-15(2,3)4/h7-8,10H,6,9H2,1-5H3.
What are the key properties of tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate?
tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-3-methyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate is sourced from PubChem (CID 153373718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).