2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol

C12H14BrN3O — CID 110431564

IUPAC2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2c(Br)cccc12
InChIInChI=1S/C12H14BrN3O/c1-2-8(6-17)16-12-9-4-3-5-10(13)11(9)14-7-15-12/h3-5,7-8,17H,2,6H2,1H3,(H,14,15,16)
InChIKeyVJHKZYNJJPKJPQ-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.58
Rot. Bonds4

About 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol

2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol (PubChem CID 110431564) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
PubChem CID110431564
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2c(Br)cccc12
InChIInChI=1S/C12H14BrN3O/c1-2-8(6-17)16-12-9-4-3-5-10(13)11(9)14-7-15-12/h3-5,7-8,17H,2,6H2,1H3,(H,14,15,16)
InChIKeyVJHKZYNJJPKJPQ-UHFFFAOYSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol (CID 110431564) is 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ncnc2c(Br)cccc12.
What is the InChIKey of 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol?
The InChIKey is VJHKZYNJJPKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-2-8(6-17)16-12-9-4-3-5-10(13)11(9)14-7-15-12/h3-5,7-8,17H,2,6H2,1H3,(H,14,15,16).
What are the key properties of 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol?
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol has a molecular weight of 296.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 110431564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).