non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C21H28N2O3 — CID 102200064

IUPACnon-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESC=CCCCCCCCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H28N2O3/c1-4-6-7-8-9-10-11-14-26-21(25)18-15-23(5-2)20-17(19(18)24)13-12-16(3)22-20/h4,12-13,15H,1,5-11,14H2,2-3H3
InChIKeyGFMRKIYNNLMXDY-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.41
Rot. Bonds10

About non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 102200064) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namenon-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID102200064
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Namenon-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESC=CCCCCCCCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C21H28N2O3/c1-4-6-7-8-9-10-11-14-26-21(25)18-15-23(5-2)20-17(19(18)24)13-12-16(3)22-20/h4,12-13,15H,1,5-11,14H2,2-3H3
InChIKeyGFMRKIYNNLMXDY-UHFFFAOYSA-N
XLogP4.41
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
2-(4-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3499151
(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5131244
(3-bromophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1314297
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
[2-(2-carbamoylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23741999
[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5039578
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
ethyl 7-methyl-1-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 75471596

Frequently Asked Questions

What is the IUPAC name of non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 102200064) is non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is C=CCCCCCCCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is GFMRKIYNNLMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-6-7-8-9-10-11-14-26-21(25)18-15-23(5-2)20-17(19(18)24)13-12-16(3)22-20/h4,12-13,15H,1,5-11,14H2,2-3H3.
What are the key properties of non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 102200064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).