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

C18H16BrN3O — CID 170641265

IUPAC4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
SMILESBrc1ccc2ncnc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C18H16BrN3O/c19-14-3-6-17-16(11-14)18(21-12-20-17)13-1-4-15(5-2-13)22-7-9-23-10-8-22/h1-6,11-12H,7-10H2
InChIKeyCQDROAWIVADRJL-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.90
Rot. Bonds2

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

4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine (PubChem CID 170641265) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
PubChem CID170641265
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine
SMILESBrc1ccc2ncnc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C18H16BrN3O/c19-14-3-6-17-16(11-14)18(21-12-20-17)13-1-4-15(5-2-13)22-7-9-23-10-8-22/h1-6,11-12H,7-10H2
InChIKeyCQDROAWIVADRJL-UHFFFAOYSA-N
XLogP3.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine (CID 170641265) is 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine is Brc1ccc2ncnc(-c3ccc(N4CCOCC4)cc3)c2c1.
What is the InChIKey of 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine?
The InChIKey is CQDROAWIVADRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c19-14-3-6-17-16(11-14)18(21-12-20-17)13-1-4-15(5-2-13)22-7-9-23-10-8-22/h1-6,11-12H,7-10H2.
What are the key properties of 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine?
4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine has a molecular weight of 370.25 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-bromoquinazolin-4-yl)phenyl]morpholine is sourced from PubChem (CID 170641265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).