methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate

C24H27N3O5 — CID 71946637

IUPACmethyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)ccc2nc1C=CN(C)C
InChIInChI=1S/C24H27N3O5/c1-26(2)11-9-20-18(24(29)32-5)15-17-19(25-20)10-13-27(23(17)28)12-8-16-6-7-21(30-3)22(14-16)31-4/h6-7,9-11,13-15H,8,12H2,1-5H3
InChIKeyOLROGHSXGSMDKR-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.98
Rot. Bonds8

About methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate

methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 71946637) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID71946637
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Namemethyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)ccc2nc1C=CN(C)C
InChIInChI=1S/C24H27N3O5/c1-26(2)11-9-20-18(24(29)32-5)15-17-19(25-20)10-13-27(23(17)28)12-8-16-6-7-21(30-3)22(14-16)31-4/h6-7,9-11,13-15H,8,12H2,1-5H3
InChIKeyOLROGHSXGSMDKR-UHFFFAOYSA-N
XLogP2.98
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[2-(dimethylamino)ethenyl]-6-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-oxo-1,6-naphthyridine-3-carboxylate
CID 71946643
8-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylpyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43865091
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide
CID 53339983
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-(dimethylamino)ethenyl]-4-oxopyrimidine-5-carbonitrile
CID 1471802
methyl 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
CID 54707837
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172909818
methyl 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]amino]acetate
CID 172669782
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
11-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 16765802

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate (CID 71946637) is methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(CCc3ccc(OC)c(OC)c3)ccc2nc1C=CN(C)C.
What is the InChIKey of methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is OLROGHSXGSMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-26(2)11-9-20-18(24(29)32-5)15-17-19(25-20)10-13-27(23(17)28)12-8-16-6-7-21(30-3)22(14-16)31-4/h6-7,9-11,13-15H,8,12H2,1-5H3.
What are the key properties of methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate?
methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(dimethylamino)ethenyl]-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 71946637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).