4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide

C13H15N5O3 — CID 136809221

IUPAC4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C13H15N5O3/c14-7-1-2-9-8(5-7)12(20)17-13(16-9)18-3-4-21-6-10(18)11(15)19/h1-2,5,10H,3-4,6,14H2,(H2,15,19)(H,16,17,20)
InChIKeyWEHLHCLREPDISM-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.80
Rot. Bonds2

About 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide

4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide (PubChem CID 136809221) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide
PubChem CID136809221
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C13H15N5O3/c14-7-1-2-9-8(5-7)12(20)17-13(16-9)18-3-4-21-6-10(18)11(15)19/h1-2,5,10H,3-4,6,14H2,(H2,15,19)(H,16,17,20)
InChIKeyWEHLHCLREPDISM-UHFFFAOYSA-N
XLogP-0.80
TPSA127.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide (CID 136809221) is 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide?
The InChIKey is WEHLHCLREPDISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c14-7-1-2-9-8(5-7)12(20)17-13(16-9)18-3-4-21-6-10(18)11(15)19/h1-2,5,10H,3-4,6,14H2,(H2,15,19)(H,16,17,20).
What are the key properties of 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide?
4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 136809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).