ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C21H22N2O3 — CID 20940935

IUPACethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2cc(C)ccc2C)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-5-26-21(25)18-12-23(11-16-10-13(2)6-7-14(16)3)20-17(19(18)24)9-8-15(4)22-20/h6-10,12H,5,11H2,1-4H3
InChIKeyJZZHVRBXKYYRAS-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.55
Rot. Bonds4

About ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 20940935) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID20940935
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Nameethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2cc(C)ccc2C)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H22N2O3/c1-5-26-21(25)18-12-23(11-16-10-13(2)6-7-14(16)3)20-17(19(18)24)9-8-15(4)22-20/h6-10,12H,5,11H2,1-4H3
InChIKeyJZZHVRBXKYYRAS-UHFFFAOYSA-N
XLogP3.55
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759431
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 86777733
ethyl 7-methyl-1-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 75471596
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
ethyl 6-bromo-1-[(2,4-dimethylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 94674276
2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 20940935) is ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2cc(C)ccc2C)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is JZZHVRBXKYYRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-5-26-21(25)18-12-23(11-16-10-13(2)6-7-14(16)3)20-17(19(18)24)9-8-15(4)22-20/h6-10,12H,5,11H2,1-4H3.
What are the key properties of ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 20940935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).