methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

C21H22N2O4 — CID 66498661

IUPACmethyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(C(C)c3ccc(OC)cc3)ccc12
InChIInChI=1S/C21H22N2O4/c1-12-18-17(19(13(2)22-12)21(25)27-5)10-11-23(20(18)24)14(3)15-6-8-16(26-4)9-7-15/h6-11,14H,1-5H3
InChIKeyRAMJSWHPPITFSX-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.42
Rot. Bonds4

About methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate

methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (PubChem CID 66498661) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
PubChem CID66498661
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1c(C)nc(C)c2c(=O)n(C(C)c3ccc(OC)cc3)ccc12
InChIInChI=1S/C21H22N2O4/c1-12-18-17(19(13(2)22-12)21(25)27-5)10-11-23(20(18)24)14(3)15-6-8-16(26-4)9-7-15/h6-11,14H,1-5H3
InChIKeyRAMJSWHPPITFSX-UHFFFAOYSA-N
XLogP3.42
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate with MolForge

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Related Compounds

methyl 7-cyclopentyl-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498695
methyl 7-[3-(dimethylamino)propyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate
CID 66498652
methyl 6-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 51897110
methyl 4-methyl-10-oxo-11-(1-phenylethyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66504537
1-[1-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 102218490
11-[1-(4-fluorophenyl)ethyl]-4,8-dimethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66496444
ethyl 4-amino-1-[(1S)-1-(4-methoxyphenyl)ethyl]-6-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 155812191
dimethyl 4-(2,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232490
1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 66244713
CID 88961149
CID 88961149
methyl 3-hydroxy-6-[1-(4-methoxyphenyl)ethyl]-2-methylpyridine-4-carboxylate
CID 174993009
3-[1-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17021441

Frequently Asked Questions

What is the IUPAC name of methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate (CID 66498661) is methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is COC(=O)c1c(C)nc(C)c2c(=O)n(C(C)c3ccc(OC)cc3)ccc12.
What is the InChIKey of methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
The InChIKey is RAMJSWHPPITFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-18-17(19(13(2)22-12)21(25)27-5)10-11-23(20(18)24)14(3)15-6-8-16(26-4)9-7-15/h6-11,14H,1-5H3.
What are the key properties of methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate?
methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[1-(4-methoxyphenyl)ethyl]-1,3-dimethyl-8-oxo-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 66498661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).