4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid

C13H15N3O3 — CID 62406415

IUPAC4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid
SMILESCOCCN(C)c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C13H15N3O3/c1-16(7-8-19-2)12-9-5-3-4-6-10(9)14-11(15-12)13(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyZOHCRURAZRSSGE-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.41
Rot. Bonds5

About 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid

4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid (PubChem CID 62406415) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid
PubChem CID62406415
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid
SMILESCOCCN(C)c1nc(C(=O)O)nc2ccccc12
InChIInChI=1S/C13H15N3O3/c1-16(7-8-19-2)12-9-5-3-4-6-10(9)14-11(15-12)13(17)18/h3-6H,7-8H2,1-2H3,(H,17,18)
InChIKeyZOHCRURAZRSSGE-UHFFFAOYSA-N
XLogP1.41
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid (CID 62406415) is 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid is COCCN(C)c1nc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid?
The InChIKey is ZOHCRURAZRSSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16(7-8-19-2)12-9-5-3-4-6-10(9)14-11(15-12)13(17)18/h3-6H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid?
4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]quinazoline-2-carboxylic acid is sourced from PubChem (CID 62406415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).