3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol

C14H18BrN3O — CID 115358199

IUPAC3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3O/c1-14(2,8-19)7-18-13-10-5-9(15)3-4-12(10)17-6-11(13)16/h3-6,19H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyGWPCSIYFMDBDBC-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.01
Rot. Bonds4

About 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115358199) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115358199
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C14H18BrN3O/c1-14(2,8-19)7-18-13-10-5-9(15)3-4-12(10)17-6-11(13)16/h3-6,19H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyGWPCSIYFMDBDBC-UHFFFAOYSA-N
XLogP3.01
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 107151123
2-[(3-amino-6-bromoquinolin-4-yl)amino]butan-1-ol
CID 43621318
2-[(3-amino-6-bromoquinolin-4-yl)amino]ethylurea
CID 83116009
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
CID 63981205
6-bromo-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinoline-3,4-diamine
CID 61282549
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310
6-bromo-4-N-(2-pyridin-4-ylethyl)quinoline-3,4-diamine
CID 60915273
6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171
6-bromo-4-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-3,4-diamine
CID 64548457

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115358199) is 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is GWPCSIYFMDBDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-14(2,8-19)7-18-13-10-5-9(15)3-4-12(10)17-6-11(13)16/h3-6,19H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 324.22 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115358199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).