4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine

C18H22BrN3O2 — CID 118475316

IUPAC4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine
SMILESBrc1ccc2ncnc(OC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H22BrN3O2/c19-13-1-6-17-16(11-13)18(21-12-20-17)24-15-4-2-14(3-5-15)22-7-9-23-10-8-22/h1,6,11-12,14-15H,2-5,7-10H2
InChIKeyYMYSQXCXIUHIBE-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.41
Rot. Bonds3

About 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine

4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine (PubChem CID 118475316) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine
PubChem CID118475316
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine
SMILESBrc1ccc2ncnc(OC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C18H22BrN3O2/c19-13-1-6-17-16(11-13)18(21-12-20-17)24-15-4-2-14(3-5-15)22-7-9-23-10-8-22/h1,6,11-12,14-15H,2-5,7-10H2
InChIKeyYMYSQXCXIUHIBE-UHFFFAOYSA-N
XLogP3.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine?
The IUPAC name of 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine (CID 118475316) is 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine.
What is the SMILES notation for 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine?
The canonical SMILES for 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine is Brc1ccc2ncnc(OC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine?
The InChIKey is YMYSQXCXIUHIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c19-13-1-6-17-16(11-13)18(21-12-20-17)24-15-4-2-14(3-5-15)22-7-9-23-10-8-22/h1,6,11-12,14-15H,2-5,7-10H2.
What are the key properties of 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine?
4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine has a molecular weight of 392.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-bromoquinazolin-4-yl)oxycyclohexyl]morpholine is sourced from PubChem (CID 118475316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).