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

C15H20BrN3O — CID 107151123

IUPAC1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C15H20BrN3O/c1-9(2)5-11(20)7-19-15-12-6-10(16)3-4-14(12)18-8-13(15)17/h3-4,6,8-9,11,20H,5,7,17H2,1-2H3,(H,18,19)
InChIKeyXUXYWDZRYSNDLK-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.40
Rot. Bonds5

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

1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol (PubChem CID 107151123) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
PubChem CID107151123
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C15H20BrN3O/c1-9(2)5-11(20)7-19-15-12-6-10(16)3-4-14(12)18-8-13(15)17/h3-4,6,8-9,11,20H,5,7,17H2,1-2H3,(H,18,19)
InChIKeyXUXYWDZRYSNDLK-UHFFFAOYSA-N
XLogP3.40
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol with MolForge

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Related Compounds

6-bromo-4-N-(2-methylbutyl)quinoline-3,4-diamine
CID 55186742
6-bromo-4-N-(2-methyl-3-methylsulfanylpropyl)quinoline-3,4-diamine
CID 63981205
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
6-bromo-4-N-[2-(dimethylamino)ethyl]quinoline-3,4-diamine
CID 43621177
6-bromo-4-N-(2-methylsulfonylethyl)quinoline-3,4-diamine
CID 54934689
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
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-(1-cyclopropylpropan-2-yl)quinoline-3,4-diamine
CID 63988688
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol (CID 107151123) is 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol?
The InChIKey is XUXYWDZRYSNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9(2)5-11(20)7-19-15-12-6-10(16)3-4-14(12)18-8-13(15)17/h3-4,6,8-9,11,20H,5,7,17H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol?
1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol has a molecular weight of 338.25 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-bromoquinolin-4-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107151123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).