dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate

C23H23NO6 — CID 22007344

IUPACdimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC(C)C)c(OC)cc2c(-c2ccncc2)c1C(=O)OC
InChIInChI=1S/C23H23NO6/c1-13(2)30-19-11-15-10-17(22(25)28-4)21(23(26)29-5)20(14-6-8-24-9-7-14)16(15)12-18(19)27-3/h6-13H,1-5H3
InChIKeyPMCLYBYHCLFRNL-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.27
Rot. Bonds6

About dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate

dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate (PubChem CID 22007344) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
PubChem CID22007344
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Namedimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2cc(OC(C)C)c(OC)cc2c(-c2ccncc2)c1C(=O)OC
InChIInChI=1S/C23H23NO6/c1-13(2)30-19-11-15-10-17(22(25)28-4)21(23(26)29-5)20(14-6-8-24-9-7-14)16(15)12-18(19)27-3/h6-13H,1-5H3
InChIKeyPMCLYBYHCLFRNL-UHFFFAOYSA-N
XLogP4.27
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate (CID 22007344) is dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate is COC(=O)c1cc2cc(OC(C)C)c(OC)cc2c(-c2ccncc2)c1C(=O)OC.
What is the InChIKey of dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The InChIKey is PMCLYBYHCLFRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-13(2)30-19-11-15-10-17(22(25)28-4)21(23(26)29-5)20(14-6-8-24-9-7-14)16(15)12-18(19)27-3/h6-13H,1-5H3.
What are the key properties of dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate has a molecular weight of 409.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-methoxy-6-propan-2-yloxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 22007344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).