4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid

C13H14N4O3 — CID 71208027

IUPAC4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(NN3CCOCC3)ncnc12
InChIInChI=1S/C13H14N4O3/c18-13(19)10-3-1-2-9-11(10)14-8-15-12(9)16-17-4-6-20-7-5-17/h1-3,8H,4-7H2,(H,18,19)(H,14,15,16)
InChIKeyCQLQEAYWLZUKCV-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.99
Rot. Bonds3

About 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid

4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid (PubChem CID 71208027) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid
PubChem CID71208027
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(NN3CCOCC3)ncnc12
InChIInChI=1S/C13H14N4O3/c18-13(19)10-3-1-2-9-11(10)14-8-15-12(9)16-17-4-6-20-7-5-17/h1-3,8H,4-7H2,(H,18,19)(H,14,15,16)
InChIKeyCQLQEAYWLZUKCV-UHFFFAOYSA-N
XLogP0.99
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid?
The IUPAC name of 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid (CID 71208027) is 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid?
The canonical SMILES for 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid is O=C(O)c1cccc2c(NN3CCOCC3)ncnc12.
What is the InChIKey of 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid?
The InChIKey is CQLQEAYWLZUKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-13(19)10-3-1-2-9-11(10)14-8-15-12(9)16-17-4-6-20-7-5-17/h1-3,8H,4-7H2,(H,18,19)(H,14,15,16).
What are the key properties of 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid?
4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylamino)quinazoline-8-carboxylic acid is sourced from PubChem (CID 71208027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).