2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C25H24N4O — CID 1187531

IUPAC2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H24N4O/c1-18-6-8-19(9-7-18)24-27-23-5-3-2-4-22(23)25(28-24)26-20-10-12-21(13-11-20)29-14-16-30-17-15-29/h2-13H,14-17H2,1H3,(H,26,27,28)
InChIKeyYLPKKQNRKMWICA-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.19
Rot. Bonds4

About 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 1187531) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID1187531
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C25H24N4O/c1-18-6-8-19(9-7-18)24-27-23-5-3-2-4-22(23)25(28-24)26-20-10-12-21(13-11-20)29-14-16-30-17-15-29/h2-13H,14-17H2,1H3,(H,26,27,28)
InChIKeyYLPKKQNRKMWICA-UHFFFAOYSA-N
XLogP5.19
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 1187531) is 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is Cc1ccc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is YLPKKQNRKMWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-6-8-19(9-7-18)24-27-23-5-3-2-4-22(23)25(28-24)26-20-10-12-21(13-11-20)29-14-16-30-17-15-29/h2-13H,14-17H2,1H3,(H,26,27,28).
What are the key properties of 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 396.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 1187531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).