6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine

C24H22N4O — CID 71663851

IUPAC6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)cc1
InChIInChI=1S/C24H22N4O/c1-2-6-20(7-3-1)27-24-22-16-19(9-10-23(22)25-17-26-24)18-5-4-8-21(15-18)28-11-13-29-14-12-28/h1-10,15-17H,11-14H2,(H,25,26,27)
InChIKeyXMNVAICQIVQFKZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.88
Rot. Bonds4

About 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine

6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine (PubChem CID 71663851) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine
PubChem CID71663851
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine
SMILESc1ccc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)cc1
InChIInChI=1S/C24H22N4O/c1-2-6-20(7-3-1)27-24-22-16-19(9-10-23(22)25-17-26-24)18-5-4-8-21(15-18)28-11-13-29-14-12-28/h1-10,15-17H,11-14H2,(H,25,26,27)
InChIKeyXMNVAICQIVQFKZ-UHFFFAOYSA-N
XLogP4.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine?
The IUPAC name of 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine (CID 71663851) is 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine.
What is the SMILES notation for 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine?
The canonical SMILES for 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine is c1ccc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)cc1.
What is the InChIKey of 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine?
The InChIKey is XMNVAICQIVQFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-2-6-20(7-3-1)27-24-22-16-19(9-10-23(22)25-17-26-24)18-5-4-8-21(15-18)28-11-13-29-14-12-28/h1-10,15-17H,11-14H2,(H,25,26,27).
What are the key properties of 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine?
6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine has a molecular weight of 382.47 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylphenyl)-N-phenylquinazolin-4-amine is sourced from PubChem (CID 71663851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).