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

C19H16N2O5 — CID 54740912

IUPAC4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
SMILESCn1c(=O)c(C(=O)CCC(=O)O)c(O)c2cc(-c3ccccc3)cnc21
InChIInChI=1S/C19H16N2O5/c1-21-18-13(9-12(10-20-18)11-5-3-2-4-6-11)17(25)16(19(21)26)14(22)7-8-15(23)24/h2-6,9-10,25H,7-8H2,1H3,(H,23,24)
InChIKeyYOPREHPEFDOGBH-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.35
Rot. Bonds5

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

4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid (PubChem CID 54740912) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
PubChem CID54740912
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
SMILESCn1c(=O)c(C(=O)CCC(=O)O)c(O)c2cc(-c3ccccc3)cnc21
InChIInChI=1S/C19H16N2O5/c1-21-18-13(9-12(10-20-18)11-5-3-2-4-6-11)17(25)16(19(21)26)14(22)7-8-15(23)24/h2-6,9-10,25H,7-8H2,1H3,(H,23,24)
InChIKeyYOPREHPEFDOGBH-UHFFFAOYSA-N
XLogP2.35
TPSA109.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-hydroxy-1,6-dimethyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoic acid
CID 58433027
3-benzyl-1,4-dihydroxy-6-phenyl-1,8-naphthyridin-2-one
CID 54735024
methyl 4-(6-cyclohexyl-4-hydroxy-1-methyl-2-oxo-1,8-naphthyridin-3-yl)-4-oxobutanoate
CID 67408283
2-[(5-hydroxy-8-methyl-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetic acid
CID 54741099
4-[7-(2-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 157266952
carbon dioxide;4-(7,8-difluoro-4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobutanoic acid
CID 157185155
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid
CID 59634167
4-[7-(2-chloro-3-fluorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl]-4-oxobutanoic acid
CID 161384700
6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 54741065
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
CID 54741076

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid (CID 54740912) is 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid is Cn1c(=O)c(C(=O)CCC(=O)O)c(O)c2cc(-c3ccccc3)cnc21.
What is the InChIKey of 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
The InChIKey is YOPREHPEFDOGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-21-18-13(9-12(10-20-18)11-5-3-2-4-6-11)17(25)16(19(21)26)14(22)7-8-15(23)24/h2-6,9-10,25H,7-8H2,1H3,(H,23,24).
What are the key properties of 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid?
4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid has a molecular weight of 352.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-1-methyl-2-oxo-6-phenyl-1,8-naphthyridin-3-yl)-4-oxobutanoic acid is sourced from PubChem (CID 54740912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).