4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid

C14H14N2O5 — CID 58433027

IUPAC4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
SMILESCc1cnc2c(c1)c(O)c(C(=O)CCC(=O)O)c(=O)n2C
InChIInChI=1S/C14H14N2O5/c1-7-5-8-12(20)11(9(17)3-4-10(18)19)14(21)16(2)13(8)15-6-7/h5-6,20H,3-4H2,1-2H3,(H,18,19)
InChIKeyCEDHBAHATGIUDY-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.00
Rot. Bonds4

About 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid

4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid (PubChem CID 58433027) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
PubChem CID58433027
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
SMILESCc1cnc2c(c1)c(O)c(C(=O)CCC(=O)O)c(=O)n2C
InChIInChI=1S/C14H14N2O5/c1-7-5-8-12(20)11(9(17)3-4-10(18)19)14(21)16(2)13(8)15-6-7/h5-6,20H,3-4H2,1-2H3,(H,18,19)
InChIKeyCEDHBAHATGIUDY-UHFFFAOYSA-N
XLogP1.00
TPSA109.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54734970
3-Methyl-1,8-naphthyridine-2,4-diol
CID 54711863
4-Hydroxy-1-phenyl-3-(prop-2-en-1-yl)-1,8-naphthyridin-2(1H)-one
CID 54686095
4-Hydroxy-3-methyl-1-phenyl-1,8-naphthyridin-2-one
CID 54690129
Ethyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
CID 54696179
1-Ethyl-1,2-dihydro-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid, ethyl ester
CID 54696180
1-Benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54726749
Ethyl 4-hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
CID 54731416
4-Hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one
CID 54735432
1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 16228682
6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acid
CID 66769552
4-Hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one
CID 54728901

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid (CID 58433027) is 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid is Cc1cnc2c(c1)c(O)c(C(=O)CCC(=O)O)c(=O)n2C.
What is the InChIKey of 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
The InChIKey is CEDHBAHATGIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-7-5-8-12(20)11(9(17)3-4-10(18)19)14(21)16(2)13(8)15-6-7/h5-6,20H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid has a molecular weight of 290.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 58433027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).