dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate

C22H20ClNO6 — CID 140974219

IUPACdimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
SMILESCCOc1cc2c(-c3ccncc3)c(C(=O)OC)c(C(=O)OC)c(Cl)c2cc1OC
InChIInChI=1S/C22H20ClNO6/c1-5-30-16-10-13-14(11-15(16)27-2)20(23)19(22(26)29-4)18(21(25)28-3)17(13)12-6-8-24-9-7-12/h6-11H,5H2,1-4H3
InChIKeyDNGXSMAKXORHMC-UHFFFAOYSA-N
MW429.86 g/mol
LogP4.54
Rot. Bonds6

About dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate

dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate (PubChem CID 140974219) has the molecular formula C22H20ClNO6 and a molecular weight of 429.86 g/mol. Its IUPAC name is dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
PubChem CID140974219
Molecular FormulaC22H20ClNO6
Molecular Weight429.86 g/mol
Exact Mass429.10
IUPAC Namedimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
SMILESCCOc1cc2c(-c3ccncc3)c(C(=O)OC)c(C(=O)OC)c(Cl)c2cc1OC
InChIInChI=1S/C22H20ClNO6/c1-5-30-16-10-13-14(11-15(16)27-2)20(23)19(22(26)29-4)18(21(25)28-3)17(13)12-6-8-24-9-7-12/h6-11H,5H2,1-4H3
InChIKeyDNGXSMAKXORHMC-UHFFFAOYSA-N
XLogP4.54
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 6,7-diethoxy-1-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 15224775
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
methyl 3-(2-chloro-4-pyridinyl)-5-methoxypyridine-4-carboxylate
CID 175549620
methyl 5-(2-chloro-4-pyridinyl)-2-ethoxy-3-methoxypyridine-4-carboxylate
CID 175549631
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
CID 46317836
(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate
CID 24851364
methyl 6-(4-chlorophenyl)-4-ethoxy-2-ethylpyridine-3-carboxylate
CID 59487416
2-O-ethyl 3-O-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylate
CID 10368697
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate (CID 140974219) is dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate is CCOc1cc2c(-c3ccncc3)c(C(=O)OC)c(C(=O)OC)c(Cl)c2cc1OC.
What is the InChIKey of dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
The InChIKey is DNGXSMAKXORHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO6/c1-5-30-16-10-13-14(11-15(16)27-2)20(23)19(22(26)29-4)18(21(25)28-3)17(13)12-6-8-24-9-7-12/h6-11H,5H2,1-4H3.
What are the key properties of dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate?
dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate has a molecular weight of 429.86 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 140974219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).