(2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C24H25Cl2NO5 — CID 118694378

IUPAC(2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOCCN1C(=O)CC(c2cc(Cl)ccc2Cl)C(C(=O)OCc2ccccc2OC)=C1C
InChIInChI=1S/C24H25Cl2NO5/c1-15-23(24(29)32-14-16-6-4-5-7-21(16)31-3)19(13-22(28)27(15)10-11-30-2)18-12-17(25)8-9-20(18)26/h4-9,12,19H,10-11,13-14H2,1-3H3
InChIKeyKUVVLMSCXVQSMH-UHFFFAOYSA-N
MW478.37 g/mol
LogP4.98
Rot. Bonds8

About (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

(2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 118694378) has the molecular formula C24H25Cl2NO5 and a molecular weight of 478.37 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID118694378
Molecular FormulaC24H25Cl2NO5
Molecular Weight478.37 g/mol
Exact Mass477.11
IUPAC Name(2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOCCN1C(=O)CC(c2cc(Cl)ccc2Cl)C(C(=O)OCc2ccccc2OC)=C1C
InChIInChI=1S/C24H25Cl2NO5/c1-15-23(24(29)32-14-16-6-4-5-7-21(16)31-3)19(13-22(28)27(15)10-11-30-2)18-12-17(25)8-9-20(18)26/h4-9,12,19H,10-11,13-14H2,1-3H3
InChIKeyKUVVLMSCXVQSMH-UHFFFAOYSA-N
XLogP4.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 118694378) is (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is COCCN1C(=O)CC(c2cc(Cl)ccc2Cl)C(C(=O)OCc2ccccc2OC)=C1C.
What is the InChIKey of (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is KUVVLMSCXVQSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2NO5/c1-15-23(24(29)32-14-16-6-4-5-7-21(16)31-3)19(13-22(28)27(15)10-11-30-2)18-12-17(25)8-9-20(18)26/h4-9,12,19H,10-11,13-14H2,1-3H3.
What are the key properties of (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
(2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 478.37 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 4-(2,5-dichlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 118694378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).