4-(2-phenylquinazolin-4-yl)morpholin-4-ium

C18H18N3O+ — CID 4598803

IUPAC4-(2-phenylquinazolin-4-yl)morpholin-4-ium
SMILESc1ccc(-c2nc([NH+]3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H17N3O/c1-2-6-14(7-3-1)17-19-16-9-5-4-8-15(16)18(20-17)21-10-12-22-13-11-21/h1-9H,10-13H2/p+1
InChIKeyLELHZGOHVCQBJP-UHFFFAOYSA-O
MW292.36 g/mol
LogP1.84
Rot. Bonds2

About 4-(2-phenylquinazolin-4-yl)morpholin-4-ium

4-(2-phenylquinazolin-4-yl)morpholin-4-ium (PubChem CID 4598803) has the molecular formula C18H18N3O+ and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(2-phenylquinazolin-4-yl)morpholin-4-ium.

Molecular Properties

Compound Name4-(2-phenylquinazolin-4-yl)morpholin-4-ium
PubChem CID4598803
Molecular FormulaC18H18N3O+
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name4-(2-phenylquinazolin-4-yl)morpholin-4-ium
SMILESc1ccc(-c2nc([NH+]3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C18H17N3O/c1-2-6-14(7-3-1)17-19-16-9-5-4-8-15(16)18(20-17)21-10-12-22-13-11-21/h1-9H,10-13H2/p+1
InChIKeyLELHZGOHVCQBJP-UHFFFAOYSA-O
XLogP1.84
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylquinazolin-4-yl)morpholin-4-ium?
The IUPAC name of 4-(2-phenylquinazolin-4-yl)morpholin-4-ium (CID 4598803) is 4-(2-phenylquinazolin-4-yl)morpholin-4-ium.
What is the SMILES notation for 4-(2-phenylquinazolin-4-yl)morpholin-4-ium?
The canonical SMILES for 4-(2-phenylquinazolin-4-yl)morpholin-4-ium is c1ccc(-c2nc([NH+]3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 4-(2-phenylquinazolin-4-yl)morpholin-4-ium?
The InChIKey is LELHZGOHVCQBJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N3O/c1-2-6-14(7-3-1)17-19-16-9-5-4-8-15(16)18(20-17)21-10-12-22-13-11-21/h1-9H,10-13H2/p+1.
What are the key properties of 4-(2-phenylquinazolin-4-yl)morpholin-4-ium?
4-(2-phenylquinazolin-4-yl)morpholin-4-ium has a molecular weight of 292.36 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylquinazolin-4-yl)morpholin-4-ium is sourced from PubChem (CID 4598803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).