dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate

C23H23NO6 — CID 15224775

IUPACdimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
SMILESCCOc1cc2cc(C(=O)OC)c(C(=O)OC)c(-c3ccncc3)c2cc1OCC
InChIInChI=1S/C23H23NO6/c1-5-29-18-12-15-11-17(22(25)27-3)21(23(26)28-4)20(14-7-9-24-10-8-14)16(15)13-19(18)30-6-2/h7-13H,5-6H2,1-4H3
InChIKeyGEILZOBXTCOHHM-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.27
Rot. Bonds7

About dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate

dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate (PubChem CID 15224775) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
PubChem CID15224775
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Namedimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
SMILESCCOc1cc2cc(C(=O)OC)c(C(=O)OC)c(-c3ccncc3)c2cc1OCC
InChIInChI=1S/C23H23NO6/c1-5-29-18-12-15-11-17(22(25)27-3)21(23(26)28-4)20(14-7-9-24-10-8-14)16(15)13-19(18)30-6-2/h7-13H,5-6H2,1-4H3
InChIKeyGEILZOBXTCOHHM-UHFFFAOYSA-N
XLogP4.27
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 1-(2-chloro-4-pyridinyl)-6-ethoxy-7-methoxynaphthalene-2,3-dicarboxylate
CID 10788729
dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 22007344
dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 140974219
dimethyl 1-(2-bromo-4-pyridinyl)-7-methoxy-6-methylnaphthalene-2,3-dicarboxylate
CID 118054707
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
dimethyl 5-(1,3-benzodioxol-5-yl)benzo[f][1,3]benzodioxole-6,7-dicarboxylate
CID 10454119
methyl 1,2,6,7-tetraethoxyphenanthrene-9-carboxylate
CID 162515113
methyl 3-butoxy-6,7-diethoxyphenanthrene-9-carboxylate
CID 118485785
dimethyl 1-[2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-quinolin-1-yl]-4-pyridinyl]-6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 66867671
methyl 6-methyl-2,3-dipropoxyphenanthrene-9-carboxylate
CID 162515122
dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232605
tetraethyl 4-pyridin-4-ylpyridine-2,3,5,6-tetracarboxylate
CID 4086243

Frequently Asked Questions

What is the IUPAC name of dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate (CID 15224775) is dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate is CCOc1cc2cc(C(=O)OC)c(C(=O)OC)c(-c3ccncc3)c2cc1OCC.
What is the InChIKey of dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The InChIKey is GEILZOBXTCOHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-5-29-18-12-15-11-17(22(25)27-3)21(23(26)28-4)20(14-7-9-24-10-8-14)16(15)13-19(18)30-6-2/h7-13H,5-6H2,1-4H3.
What are the key properties of dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate has a molecular weight of 409.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 15224775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).