4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid

C11H15N3O3 — CID 83870351

IUPAC4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
SMILESCN(C)c1nc(=O)[nH]c2c1CC(C(=O)O)CC2
InChIInChI=1S/C11H15N3O3/c1-14(2)9-7-5-6(10(15)16)3-4-8(7)12-11(17)13-9/h6H,3-5H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeySKAXLAPXWFQNRD-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.03
Rot. Bonds2

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

4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid (PubChem CID 83870351) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
PubChem CID83870351
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
SMILESCN(C)c1nc(=O)[nH]c2c1CC(C(=O)O)CC2
InChIInChI=1S/C11H15N3O3/c1-14(2)9-7-5-6(10(15)16)3-4-8(7)12-11(17)13-9/h6H,3-5H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeySKAXLAPXWFQNRD-UHFFFAOYSA-N
XLogP0.03
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
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-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83863726
4-amino-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83871952
3-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)propanoic acid
CID 84689708

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid (CID 83870351) is 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid is CN(C)c1nc(=O)[nH]c2c1CC(C(=O)O)CC2.
What is the InChIKey of 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
The InChIKey is SKAXLAPXWFQNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14(2)9-7-5-6(10(15)16)3-4-8(7)12-11(17)13-9/h6H,3-5H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid?
4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid is sourced from PubChem (CID 83870351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).