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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
CID 110431527
8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
CID 110434524
8-bromo-N-[(2S)-1-piperazin-1-ylpropan-2-yl]quinazolin-4-amine;hydrochloride
CID 170555481
(2R)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866510
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853
8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine
CID 110431549

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).