4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid

C9H11N3O3 — CID 83863726

IUPAC4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
SMILESNc1nc(=O)[nH]c2c1CC(C(=O)O)CC2
InChIInChI=1S/C9H11N3O3/c10-7-5-3-4(8(13)14)1-2-6(5)11-9(15)12-7/h4H,1-3H2,(H,13,14)(H3,10,11,12,15)
InChIKeyMLHNFTDZPPHVGH-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.46
Rot. Bonds1

About 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid

4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid (PubChem CID 83863726) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
PubChem CID83863726
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
SMILESNc1nc(=O)[nH]c2c1CC(C(=O)O)CC2
InChIInChI=1S/C9H11N3O3/c10-7-5-3-4(8(13)14)1-2-6(5)11-9(15)12-7/h4H,1-3H2,(H,13,14)(H3,10,11,12,15)
InChIKeyMLHNFTDZPPHVGH-UHFFFAOYSA-N
XLogP-0.46
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-carboethoxy-5,6,7,8-tetrahydro-2(1H)-quinazolinone
CID 15284093
ethane;ethyl 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylate
CID 141792985
2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83818416
4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83870351
4-methylsulfanyl-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83871840
4-amino-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83871952
3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84667441
3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84678272
3-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84688204
3-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)propanoic acid
CID 84689708
3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84700015

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The IUPAC name of 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid (CID 83863726) is 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The canonical SMILES for 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid is Nc1nc(=O)[nH]c2c1CC(C(=O)O)CC2.
What is the InChIKey of 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The InChIKey is MLHNFTDZPPHVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-7-5-3-4(8(13)14)1-2-6(5)11-9(15)12-7/h4H,1-3H2,(H,13,14)(H3,10,11,12,15).
What are the key properties of 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid has a molecular weight of 209.20 g/mol, XLogP of -0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 83863726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).