2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one

C23H21N5O2 — CID 123765235

IUPAC2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
SMILESNc1nc2ccc(-c3ccc(N4CCOCC4)nc3)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H21N5O2/c24-23-26-20-8-6-16(14-19(20)22(29)28(23)18-4-2-1-3-5-18)17-7-9-21(25-15-17)27-10-12-30-13-11-27/h1-9,14-15H,10-13H2,(H2,24,26)
InChIKeyAVIDVEMMDKPJIU-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.87
Rot. Bonds3

About 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one

2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one (PubChem CID 123765235) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
PubChem CID123765235
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
SMILESNc1nc2ccc(-c3ccc(N4CCOCC4)nc3)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H21N5O2/c24-23-26-20-8-6-16(14-19(20)22(29)28(23)18-4-2-1-3-5-18)17-7-9-21(25-15-17)27-10-12-30-13-11-27/h1-9,14-15H,10-13H2,(H2,24,26)
InChIKeyAVIDVEMMDKPJIU-UHFFFAOYSA-N
XLogP2.87
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one (CID 123765235) is 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one is Nc1nc2ccc(-c3ccc(N4CCOCC4)nc3)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one?
The InChIKey is AVIDVEMMDKPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-23-26-20-8-6-16(14-19(20)22(29)28(23)18-4-2-1-3-5-18)17-7-9-21(25-15-17)27-10-12-30-13-11-27/h1-9,14-15H,10-13H2,(H2,24,26).
What are the key properties of 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one?
2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one has a molecular weight of 399.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 123765235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).