4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine

C14H16BrN3O — CID 170707996

IUPAC4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ncc3cc(Br)ccc3n2)CCO1
InChIInChI=1S/C14H16BrN3O/c1-14(2)9-18(5-6-19-14)13-16-8-10-7-11(15)3-4-12(10)17-13/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyQPAWNHWKTDAGCE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.01
Rot. Bonds1

About 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine

4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine (PubChem CID 170707996) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine
PubChem CID170707996
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2ncc3cc(Br)ccc3n2)CCO1
InChIInChI=1S/C14H16BrN3O/c1-14(2)9-18(5-6-19-14)13-16-8-10-7-11(15)3-4-12(10)17-13/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyQPAWNHWKTDAGCE-UHFFFAOYSA-N
XLogP3.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine (CID 170707996) is 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine is CC1(C)CN(c2ncc3cc(Br)ccc3n2)CCO1.
What is the InChIKey of 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine?
The InChIKey is QPAWNHWKTDAGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-14(2)9-18(5-6-19-14)13-16-8-10-7-11(15)3-4-12(10)17-13/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine?
4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine has a molecular weight of 322.21 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoquinazolin-2-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 170707996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).