3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid

C16H12N2O4 — CID 59926339

IUPAC3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C16H12N2O4/c19-14-12-8-11(15(20)21)6-7-13(12)17-16(22)18(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)(H,20,21)
InChIKeyFVLGJNDWJZFOHL-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.44
Rot. Bonds3

About 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid

3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid (PubChem CID 59926339) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid
PubChem CID59926339
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C16H12N2O4/c19-14-12-8-11(15(20)21)6-7-13(12)17-16(22)18(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)(H,20,21)
InChIKeyFVLGJNDWJZFOHL-UHFFFAOYSA-N
XLogP1.44
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-((1-Methyl-2,4-dioxo-6-(3-phenylprop-1-YN-1-YL)-1,4-dihydroquinazolin-3(2H)-YL)methyl)benzoic acid
CID 10224181
NS3763
CID 4359312
4-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}amino)benzoic acid
CID 1769971
4-(3-(1-Propionylpiperidin-4-yl)ureido)benzoic acid
CID 49783010
4-(1-Hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoic acid
CID 57331381
2,4-Dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
CID 19604389
4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid
CID 3855142
4-({2-[(3-Methylbenzoyl)amino]benzoyl}amino)benzoic acid
CID 1295391
4-(3-Benzyl-4-oxo-1,2-dihydroquinazolin-2-yl)benzoic acid
CID 16339354
6-[(6-benzyl-5-isopropyl-2,4-dioxo-pyrimidin-1-yl)methoxymethyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 44454572
Propyl 4-{[(7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinolin-6-YL)carbonyl]amino}benzoate
CID 54676175
3-(3-Benzyl-2,4-dioxoquinazolin-1-yl)benzoic acid
CID 9951352

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The IUPAC name of 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid (CID 59926339) is 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The canonical SMILES for 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The InChIKey is FVLGJNDWJZFOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-12-8-11(15(20)21)6-7-13(12)17-16(22)18(14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,22)(H,20,21).
What are the key properties of 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 59926339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).