4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid

C14H15N3O3 — CID 82729142

IUPAC4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
SMILESCC1OCCC1Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H15N3O3/c1-8-11(4-5-20-8)17-13-10-3-2-9(14(18)19)6-12(10)15-7-16-13/h2-3,6-8,11H,4-5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyUKULASUYGMQNLU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds3

About 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid

4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid (PubChem CID 82729142) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
PubChem CID82729142
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid
SMILESCC1OCCC1Nc1ncnc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H15N3O3/c1-8-11(4-5-20-8)17-13-10-3-2-9(14(18)19)6-12(10)15-7-16-13/h2-3,6-8,11H,4-5H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyUKULASUYGMQNLU-UHFFFAOYSA-N
XLogP1.92
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid (CID 82729142) is 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid is CC1OCCC1Nc1ncnc2cc(C(=O)O)ccc12.
What is the InChIKey of 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid?
The InChIKey is UKULASUYGMQNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-11(4-5-20-8)17-13-10-3-2-9(14(18)19)6-12(10)15-7-16-13/h2-3,6-8,11H,4-5H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid?
4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyloxolan-3-yl)amino]quinazoline-7-carboxylic acid is sourced from PubChem (CID 82729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).