2-(2-oxo-1H-quinazolin-6-yl)acetic acid

C10H8N2O3 — CID 174608921

IUPAC2-(2-oxo-1H-quinazolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(=O)ncc2c1
InChIInChI=1S/C10H8N2O3/c13-9(14)4-6-1-2-8-7(3-6)5-11-10(15)12-8/h1-3,5H,4H2,(H,13,14)(H,11,12,15)
InChIKeyLBLIWFMRGYWHMM-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.55
Rot. Bonds2

About 2-(2-oxo-1H-quinazolin-6-yl)acetic acid

2-(2-oxo-1H-quinazolin-6-yl)acetic acid (PubChem CID 174608921) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(2-oxo-1H-quinazolin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-1H-quinazolin-6-yl)acetic acid
PubChem CID174608921
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name2-(2-oxo-1H-quinazolin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2[nH]c(=O)ncc2c1
InChIInChI=1S/C10H8N2O3/c13-9(14)4-6-1-2-8-7(3-6)5-11-10(15)12-8/h1-3,5H,4H2,(H,13,14)(H,11,12,15)
InChIKeyLBLIWFMRGYWHMM-UHFFFAOYSA-N
XLogP0.55
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(Carbamoylamino)phenyl]propanoic acid
CID 12436937
2-Oxo-1,2-dihydroquinazoline-4-carboxylic acid
CID 541947
2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetic acid
CID 57394181
Benzenacetic acid, 4-((aminocarbonyl)amino)-
CID 155195
Methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate
CID 92133523
2-[4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetic acid
CID 136068819
2-[2-(Carbamoylamino)-5-(trifluoromethyl)phenyl]acetic acid
CID 20256884
4-[N'-(2-fluorophenyl)ureido]-3-methylphenylacetic acid
CID 23512112
3-methyl-4-[N'-(2-trifluoromethylphenyl)ureido]phenylacetic acid
CID 23512199
{4-[(Anilinocarbonyl)amino]phenyl}acetic acid
CID 564698
1,2-Dihydro-4-methyl-2-oxo-6-quinolineacetic acid
CID 16765276
6-Hydroxytrimethylenequinazolone
CID 129820433

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
The IUPAC name of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid (CID 174608921) is 2-(2-oxo-1H-quinazolin-6-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-1H-quinazolin-6-yl)acetic acid is O=C(O)Cc1ccc2[nH]c(=O)ncc2c1.
What is the InChIKey of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
The InChIKey is LBLIWFMRGYWHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9(14)4-6-1-2-8-7(3-6)5-11-10(15)12-8/h1-3,5H,4H2,(H,13,14)(H,11,12,15).
What are the key properties of 2-(2-oxo-1H-quinazolin-6-yl)acetic acid?
2-(2-oxo-1H-quinazolin-6-yl)acetic acid has a molecular weight of 204.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-quinazolin-6-yl)acetic acid is sourced from PubChem (CID 174608921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).