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

C10H8N2O4 — CID 14116712

IUPAC3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid
SMILESCn1c(=O)[nH]c2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C10H8N2O4/c1-12-8(13)6-4-5(9(14)15)2-3-7(6)11-10(12)16/h2-4H,1H3,(H,11,16)(H,14,15)
InChIKeySMPQAEIGHKLRFS-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.08
Rot. Bonds1

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

3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid (PubChem CID 14116712) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid
PubChem CID14116712
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid
SMILESCn1c(=O)[nH]c2ccc(C(=O)O)cc2c1=O
InChIInChI=1S/C10H8N2O4/c1-12-8(13)6-4-5(9(14)15)2-3-7(6)11-10(12)16/h2-4H,1H3,(H,11,16)(H,14,15)
InChIKeySMPQAEIGHKLRFS-UHFFFAOYSA-N
XLogP-0.08
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(1-Propionylpiperidin-4-yl)ureido)benzoic acid
CID 49783010
2,4-Dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
CID 19604389
4-(3,3-Dimethylureido)benzoic acid
CID 350217
4-(2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoic acid
CID 3855142
ethyl 4-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)benzoate
CID 661705
Benzoic acid, 2-(((methyl((methylamino)carbonyl)amino)carbonyl)amino)-
CID 3059238
3-(2,6-Dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
CID 135747573
2,4-Dioxo-3-pentyl-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
CID 3241204
15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,5,7,9,11,13(17)-hexaene-4,14,16-trione
CID 135462408
4-[(Methylcarbamoyl)amino]benzoic acid
CID 306238
4-[(2,4,6-Trioxo-1,3-diazinane-5-carbonyl)amino]benzoic acid
CID 118310837
3-Ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
CID 751782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The IUPAC name of 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid (CID 14116712) is 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The canonical SMILES for 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid is Cn1c(=O)[nH]c2ccc(C(=O)O)cc2c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
The InChIKey is SMPQAEIGHKLRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-12-8(13)6-4-5(9(14)15)2-3-7(6)11-10(12)16/h2-4H,1H3,(H,11,16)(H,14,15).
What are the key properties of 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid?
3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-1H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 14116712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).