ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate

C24H29ClN2O5 — CID 130297891

IUPACethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate
SMILESCCOC(=O)C1(CC)C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)c2ccc(Cl)nc21
InChIInChI=1S/C24H29ClN2O5/c1-7-24(22(29)32-8-2)20-17(11-12-19(25)26-20)23(3,4)27(21(24)28)14-15-9-10-16(30-5)13-18(15)31-6/h9-13H,7-8,14H2,1-6H3
InChIKeyUUJZWGQOEKBMCN-UHFFFAOYSA-N
MW460.96 g/mol
LogP4.24
Rot. Bonds7

About ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate

ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate (PubChem CID 130297891) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate
PubChem CID130297891
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC Nameethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate
SMILESCCOC(=O)C1(CC)C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)c2ccc(Cl)nc21
InChIInChI=1S/C24H29ClN2O5/c1-7-24(22(29)32-8-2)20-17(11-12-19(25)26-20)23(3,4)27(21(24)28)14-15-9-10-16(30-5)13-18(15)31-6/h9-13H,7-8,14H2,1-6H3
InChIKeyUUJZWGQOEKBMCN-UHFFFAOYSA-N
XLogP4.24
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-1,8-naphthyridin-4-one
CID 171795802
ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate
CID 64669981
ethyl 4-[(2,4-dimethoxyphenyl)methylamino]-6-methyl-2-methylsulfanylpyrimidine-5-carboxylate
CID 122442173
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
ethyl 1-[(2,4-dimethoxyphenyl)methyl]-4-oxopyrrolidine-3-carboxylate
CID 23053060
2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617
(2,4-dimethoxyphenyl)methylurea
CID 53362457
ethyl 4-(2,4-dimethoxyphenyl)-3-oxobutanoate
CID 45156317
ethyl (3R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylate
CID 139562097
ethyl 3-(4-chlorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-oxo-5,7-dihydro-[1,2]thiazolo[5,4-c]pyridine-5-carboxylate
CID 68630411
1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 131734574
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate?
The IUPAC name of ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate (CID 130297891) is ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate?
The canonical SMILES for ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate is CCOC(=O)C1(CC)C(=O)N(Cc2ccc(OC)cc2OC)C(C)(C)c2ccc(Cl)nc21.
What is the InChIKey of ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate?
The InChIKey is UUJZWGQOEKBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O5/c1-7-24(22(29)32-8-2)20-17(11-12-19(25)26-20)23(3,4)27(21(24)28)14-15-9-10-16(30-5)13-18(15)31-6/h9-13H,7-8,14H2,1-6H3.
What are the key properties of ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate?
ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate has a molecular weight of 460.96 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-8-ethyl-5,5-dimethyl-7-oxo-1,6-naphthyridine-8-carboxylate is sourced from PubChem (CID 130297891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).