ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate

C17H15N3O4 — CID 67010881

IUPACethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n(-c2ccc(OC)nc2)c1=O
InChIInChI=1S/C17H15N3O4/c1-3-24-17(22)13-9-11-5-4-8-18-15(11)20(16(13)21)12-6-7-14(23-2)19-10-12/h4-10H,3H2,1-2H3
InChIKeyHNUJMRFFJYQLOL-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.97
Rot. Bonds4

About ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 67010881) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID67010881
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Nameethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n(-c2ccc(OC)nc2)c1=O
InChIInChI=1S/C17H15N3O4/c1-3-24-17(22)13-9-11-5-4-8-18-15(11)20(16(13)21)12-6-7-14(23-2)19-10-12/h4-10H,3H2,1-2H3
InChIKeyHNUJMRFFJYQLOL-UHFFFAOYSA-N
XLogP1.97
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
CID 67053258
ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
CID 122512958
3-[2-(3,5-dimethoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 172797169
ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11034945
ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 1-(4-fluorophenyl)-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 141474030
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 1-(6-methoxy-3-pyridinyl)-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 118929034
ethyl 4-oxo-1-pyridin-3-yl-1,8-naphthyridine-3-carboxylate
CID 12972530
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 6-hydroxyquinoline-7-carboxylate
CID 133084141

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate (CID 67010881) is ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2cccnc2n(-c2ccc(OC)nc2)c1=O.
What is the InChIKey of ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is HNUJMRFFJYQLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-3-24-17(22)13-9-11-5-4-8-18-15(11)20(16(13)21)12-6-7-14(23-2)19-10-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-methoxy-3-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 67010881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).