5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C18H23BrN4O — CID 140800582

IUPAC5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESBrc1cccc2ncnc(NC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C18H23BrN4O/c19-15-2-1-3-16-17(15)18(21-12-20-16)22-13-4-6-14(7-5-13)23-8-10-24-11-9-23/h1-3,12-14H,4-11H2,(H,20,21,22)
InChIKeyIURWMNQFFUQXPH-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 140800582) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID140800582
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESBrc1cccc2ncnc(NC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C18H23BrN4O/c19-15-2-1-3-16-17(15)18(21-12-20-16)22-13-4-6-14(7-5-13)23-8-10-24-11-9-23/h1-3,12-14H,4-11H2,(H,20,21,22)
InChIKeyIURWMNQFFUQXPH-UHFFFAOYSA-N
XLogP3.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 140800582) is 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is Brc1cccc2ncnc(NC3CCC(N4CCOCC4)CC3)c12.
What is the InChIKey of 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is IURWMNQFFUQXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c19-15-2-1-3-16-17(15)18(21-12-20-16)22-13-4-6-14(7-5-13)23-8-10-24-11-9-23/h1-3,12-14H,4-11H2,(H,20,21,22).
What are the key properties of 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 391.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 140800582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).