2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C18H25N3O3 — CID 45275731

IUPAC2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCN(CC)CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-5-20(6-2)10-11-24-18(23)15-12-21(7-3)17-14(16(15)22)9-8-13(4)19-17/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyYYEMWBZRNYJJNO-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.22
Rot. Bonds7

About 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 45275731) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID45275731
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCN(CC)CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C18H25N3O3/c1-5-20(6-2)10-11-24-18(23)15-12-21(7-3)17-14(16(15)22)9-8-13(4)19-17/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyYYEMWBZRNYJJNO-UHFFFAOYSA-N
XLogP2.22
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
2-(4-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3499151
non-8-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 102200064
imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 102083348
2-(2-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5164855
(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

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 45275731) is 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCN(CC)CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is YYEMWBZRNYJJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-5-20(6-2)10-11-24-18(23)15-12-21(7-3)17-14(16(15)22)9-8-13(4)19-17/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 45275731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).