4-morpholin-4-ylquinazoline-7-carboxylic acid

C13H13N3O3 — CID 1414121

IUPAC4-morpholin-4-ylquinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(N3CCOCC3)ncnc2c1
InChIInChI=1S/C13H13N3O3/c17-13(18)9-1-2-10-11(7-9)14-8-15-12(10)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2,(H,17,18)
InChIKeyXQJHISFKIXDERQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.16
Rot. Bonds2

About 4-morpholin-4-ylquinazoline-7-carboxylic acid

4-morpholin-4-ylquinazoline-7-carboxylic acid (PubChem CID 1414121) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-morpholin-4-ylquinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-ylquinazoline-7-carboxylic acid
PubChem CID1414121
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4-morpholin-4-ylquinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(N3CCOCC3)ncnc2c1
InChIInChI=1S/C13H13N3O3/c17-13(18)9-1-2-10-11(7-9)14-8-15-12(10)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2,(H,17,18)
InChIKeyXQJHISFKIXDERQ-UHFFFAOYSA-N
XLogP1.16
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-morpholin-4-ylquinazoline-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dihydroxypyrrolidin-1-yl)quinazoline-7-carboxylic acid
CID 106669846
4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
CID 63263123
4-(7-thiophen-2-ylquinazolin-4-yl)morpholine
CID 123590034
4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
CID 114678889
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
CID 114797984
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
2,4-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137509
2,5-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137510
N-butan-2-yl-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842372
(4-morpholin-4-ylquinazolin-6-yl)boronic acid
CID 141302023
N-(3-methylbutyl)-4-morpholin-4-ylquinazoline-6-carboxamide
CID 71842358

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylquinazoline-7-carboxylic acid?
The IUPAC name of 4-morpholin-4-ylquinazoline-7-carboxylic acid (CID 1414121) is 4-morpholin-4-ylquinazoline-7-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-ylquinazoline-7-carboxylic acid?
The canonical SMILES for 4-morpholin-4-ylquinazoline-7-carboxylic acid is O=C(O)c1ccc2c(N3CCOCC3)ncnc2c1.
What is the InChIKey of 4-morpholin-4-ylquinazoline-7-carboxylic acid?
The InChIKey is XQJHISFKIXDERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-13(18)9-1-2-10-11(7-9)14-8-15-12(10)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2,(H,17,18).
What are the key properties of 4-morpholin-4-ylquinazoline-7-carboxylic acid?
4-morpholin-4-ylquinazoline-7-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylquinazoline-7-carboxylic acid is sourced from PubChem (CID 1414121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).