methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate

C25H26N2O3 — CID 12818455

IUPACmethyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CN(Cc3ccccc3)C2)C1c1ccccc1C
InChIInChI=1S/C25H26N2O3/c1-16-9-7-8-12-19(16)23-22(25(29)30-3)17(2)26-20-14-27(15-21(28)24(20)23)13-18-10-5-4-6-11-18/h4-12,23,26H,13-15H2,1-3H3
InChIKeyAXGAABGTCKIJKA-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.47
Rot. Bonds4

About methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate

methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate (PubChem CID 12818455) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
PubChem CID12818455
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Namemethyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CN(Cc3ccccc3)C2)C1c1ccccc1C
InChIInChI=1S/C25H26N2O3/c1-16-9-7-8-12-19(16)23-22(25(29)30-3)17(2)26-20-14-27(15-21(28)24(20)23)13-18-10-5-4-6-11-18/h4-12,23,26H,13-15H2,1-3H3
InChIKeyAXGAABGTCKIJKA-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate with MolForge

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Related Compounds

methyl 7-benzyl-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
CID 12818461
methyl 7-benzyl-4-(3-bromo-4-fluorophenyl)-2-(bromomethyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
CID 11226803
methyl (4R,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1125034
methyl 7-[4-(2-hydroxyphenyl)butyl]-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
CID 88704851
3-O-ethyl 6-O-methyl (4R,6R,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 51667441
3-O-ethyl 6-O-methyl (4R,6S,7R)-2,7-dimethyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 1094672
methyl 4-(2-butylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylate
CID 12818472
cyclohexyl (4R)-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1349725
methyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049412
methyl (4S,7R)-4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1359789
methyl 4-(2-chlorophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2863656
2-phenylethyl (4S)-4-(2-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1110348

Frequently Asked Questions

What is the IUPAC name of methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate?
The IUPAC name of methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate (CID 12818455) is methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate is COC(=O)C1=C(C)NC2=C(C(=O)CN(Cc3ccccc3)C2)C1c1ccccc1C.
What is the InChIKey of methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate?
The InChIKey is AXGAABGTCKIJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-16-9-7-8-12-19(16)23-22(25(29)30-3)17(2)26-20-14-27(15-21(28)24(20)23)13-18-10-5-4-6-11-18/h4-12,23,26H,13-15H2,1-3H3.
What are the key properties of methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate?
methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 12818455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).