ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C18H16N2O4 — CID 14666330

IUPACethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(-c3ccc(O)cc3)ccc2nc1C
InChIInChI=1S/C18H16N2O4/c1-3-24-18(23)14-10-15-16(19-11(14)2)8-9-20(17(15)22)12-4-6-13(21)7-5-12/h4-10,21H,3H2,1-2H3
InChIKeyBUQFUQDKIJUPOY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.58
Rot. Bonds3

About ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 14666330) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID14666330
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Nameethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(-c3ccc(O)cc3)ccc2nc1C
InChIInChI=1S/C18H16N2O4/c1-3-24-18(23)14-10-15-16(19-11(14)2)8-9-20(17(15)22)12-4-6-13(21)7-5-12/h4-10,21H,3H2,1-2H3
InChIKeyBUQFUQDKIJUPOY-UHFFFAOYSA-N
XLogP2.58
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(2-aminophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 639609
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 169248811
ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
CID 170904363
methyl 2-methyl-5-oxo-6-(1,3-thiazol-2-yl)-1,6-naphthyridine-3-carboxylate
CID 25239675
ethyl 5-methyl-6,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-4-carboxylate
CID 14867812
[5-[(3-ethoxycarbonyl-2-methyl-5-oxo-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methyl 2-methyl-5-oxo-6-(pyridin-3-ylmethyl)-1,6-naphthyridine-3-carboxylate
CID 169248834
ethyl 3-[[3-(4-hydroxyphenyl)-4-oxoquinazolin-7-yl]oxymethyl]-2-methylbenzoate
CID 140529940
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
ethyl 3,7-dimethyl-2-methylimino-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate
CID 3067749
methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864520

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 14666330) is ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(=O)n(-c3ccc(O)cc3)ccc2nc1C.
What is the InChIKey of ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is BUQFUQDKIJUPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-24-18(23)14-10-15-16(19-11(14)2)8-9-20(17(15)22)12-4-6-13(21)7-5-12/h4-10,21H,3H2,1-2H3.
What are the key properties of ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-hydroxyphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 14666330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).