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

C23H29N3O3 — CID 54514881

IUPACethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2ccn(CCCN(C)C)c(=O)c2C1c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-5-29-23(28)19-16(2)24-18-12-15-26(14-9-13-25(3)4)22(27)21(18)20(19)17-10-7-6-8-11-17/h6-8,10-12,15,19-20H,5,9,13-14H2,1-4H3
InChIKeyYLSKMDYDCYSQDE-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.22
Rot. Bonds7

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

ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate (PubChem CID 54514881) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
PubChem CID54514881
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1C(C)=Nc2ccn(CCCN(C)C)c(=O)c2C1c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-5-29-23(28)19-16(2)24-18-12-15-26(14-9-13-25(3)4)22(27)21(18)20(19)17-10-7-6-8-11-17/h6-8,10-12,15,19-20H,5,9,13-14H2,1-4H3
InChIKeyYLSKMDYDCYSQDE-UHFFFAOYSA-N
XLogP3.22
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 6-[3-(dimethylamino)propyl]-2-methyl-4-(3-nitrophenyl)-5-oxo-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54056114
ethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-6-propyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 54560388
ethyl 1-[2-(dimethylamino)ethyl]-7-methyl-2-oxo-5-phenyl-4-[4-(2-phenylethyl)piperazin-1-yl]-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 91257457
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
ethyl 1,3,7-trimethyl-2,4-dioxo-5-(3-phenoxyphenyl)-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 123763150
ethyl 11-methyl-7-oxo-5,8,13-triphenyl-3,4,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10-tetraene-12-carboxylate
CID 123333770
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
ethyl 7-(bromomethyl)-2,4-dioxo-1,5-diphenyl-5,6-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 91222311
ethyl (4S,7R)-4-(4-chlorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6966655
ethyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
CID 54333219
prop-2-enyl 7-methyl-2,4-dioxo-5-phenyl-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 91896161
ethyl (4S,7R)-2-methyl-5-oxo-7-phenyl-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960005

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate (CID 54514881) is ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate is CCOC(=O)C1C(C)=Nc2ccn(CCCN(C)C)c(=O)c2C1c1ccccc1.
What is the InChIKey of ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is YLSKMDYDCYSQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-29-23(28)19-16(2)24-18-12-15-26(14-9-13-25(3)4)22(27)21(18)20(19)17-10-7-6-8-11-17/h6-8,10-12,15,19-20H,5,9,13-14H2,1-4H3.
What are the key properties of ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate?
ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(dimethylamino)propyl]-2-methyl-5-oxo-4-phenyl-3,4-dihydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 54514881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).