methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate

C23H29N3O3 — CID 70444952

IUPACmethyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCN(CC)c1ccccc1C1C(C(=O)OC)=C(C)Nc2ccn(CC)c(=O)c21
InChIInChI=1S/C23H29N3O3/c1-6-25(7-2)18-12-10-9-11-16(18)20-19(23(28)29-5)15(4)24-17-13-14-26(8-3)22(27)21(17)20/h9-14,20,24H,6-8H2,1-5H3
InChIKeyNPYWQODSWAIYOX-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.72
Rot. Bonds6

About methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate

methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate (PubChem CID 70444952) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
PubChem CID70444952
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Namemethyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCN(CC)c1ccccc1C1C(C(=O)OC)=C(C)Nc2ccn(CC)c(=O)c21
InChIInChI=1S/C23H29N3O3/c1-6-25(7-2)18-12-10-9-11-16(18)20-19(23(28)29-5)15(4)24-17-13-14-26(8-3)22(27)21(17)20/h9-14,20,24H,6-8H2,1-5H3
InChIKeyNPYWQODSWAIYOX-UHFFFAOYSA-N
XLogP3.72
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-methoxyphenyl)-2,6-dimethyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 13389009
dimethyl 4-[2-[bis(trifluoromethyl)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 15209636
methyl 5-cyano-6-(diethylamino)-2-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 134923544
dimethyl 2,6-dimethyl-4-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 14303269
methyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847792
methyl 6-[2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]ethyl]-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 19829381
ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 13389017
ethyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-6,7-diphenyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 20559736
methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51416486
methyl 7-(2-chlorophenyl)-4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 3652177
3-O-ethyl 5-O-methyl 2-(hydroxymethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 139655403
5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-(hydroxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143117884

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate (CID 70444952) is methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate is CCN(CC)c1ccccc1C1C(C(=O)OC)=C(C)Nc2ccn(CC)c(=O)c21.
What is the InChIKey of methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is NPYWQODSWAIYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-6-25(7-2)18-12-10-9-11-16(18)20-19(23(28)29-5)15(4)24-17-13-14-26(8-3)22(27)21(17)20/h9-14,20,24H,6-8H2,1-5H3.
What are the key properties of methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(diethylamino)phenyl]-6-ethyl-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 70444952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).