4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid

C14H15N3O3 — CID 66235767

IUPAC4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1ncnc2ccccc12)C1COCC1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-17(12-7-20-6-10(12)14(18)19)13-9-4-2-3-5-11(9)15-8-16-13/h2-5,8,10,12H,6-7H2,1H3,(H,18,19)
InChIKeyAVVDRJWNFFDNCK-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.17
Rot. Bonds3

About 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid

4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66235767) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66235767
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1ncnc2ccccc12)C1COCC1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-17(12-7-20-6-10(12)14(18)19)13-9-4-2-3-5-11(9)15-8-16-13/h2-5,8,10,12H,6-7H2,1H3,(H,18,19)
InChIKeyAVVDRJWNFFDNCK-UHFFFAOYSA-N
XLogP1.17
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid (CID 66235767) is 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid is CN(c1ncnc2ccccc12)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is AVVDRJWNFFDNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(12-7-20-6-10(12)14(18)19)13-9-4-2-3-5-11(9)15-8-16-13/h2-5,8,10,12H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).