6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C18H17BrN4O — CID 1189450

IUPAC6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C18H17BrN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyRMKXGPDFRHFPOK-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.97
Rot. Bonds3

About 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 1189450) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID1189450
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C18H17BrN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyRMKXGPDFRHFPOK-UHFFFAOYSA-N
XLogP3.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.97
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 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 1189450) is 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1.
What is the InChIKey of 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is RMKXGPDFRHFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22).
What are the key properties of 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 385.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 1189450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).