imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C16H16N4O3 — CID 102083348

IUPACimidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCn2ccnc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C16H16N4O3/c1-3-20-8-13(16(22)23-10-19-7-6-17-9-19)14(21)12-5-4-11(2)18-15(12)20/h4-9H,3,10H2,1-2H3
InChIKeyQHKZRICBNLAPIP-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.74
Rot. Bonds4

About imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 102083348) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameimidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID102083348
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Nameimidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OCn2ccnc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C16H16N4O3/c1-3-20-8-13(16(22)23-10-19-7-6-17-9-19)14(21)12-5-4-11(2)18-15(12)20/h4-9H,3,10H2,1-2H3
InChIKeyQHKZRICBNLAPIP-UHFFFAOYSA-N
XLogP1.74
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731
(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
2-(2-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5164855
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
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
[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

Frequently Asked Questions

What is the IUPAC name of imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 102083348) is imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCn2ccnc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is QHKZRICBNLAPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-3-20-8-13(16(22)23-10-19-7-6-17-9-19)14(21)12-5-4-11(2)18-15(12)20/h4-9H,3,10H2,1-2H3.
What are the key properties of imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 102083348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).