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

C15H18BrN3O — CID 118101756

IUPAC3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol
SMILESNc1cnc2ccc(Br)cc2c1NC1CCCC(O)C1
InChIInChI=1S/C15H18BrN3O/c16-9-4-5-14-12(6-9)15(13(17)8-18-14)19-10-2-1-3-11(20)7-10/h4-6,8,10-11,20H,1-3,7,17H2,(H,18,19)
InChIKeyYQCISFRTGZYLBI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.29
Rot. Bonds2

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

3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol (PubChem CID 118101756) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol
PubChem CID118101756
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol
SMILESNc1cnc2ccc(Br)cc2c1NC1CCCC(O)C1
InChIInChI=1S/C15H18BrN3O/c16-9-4-5-14-12(6-9)15(13(17)8-18-14)19-10-2-1-3-11(20)7-10/h4-6,8,10-11,20H,1-3,7,17H2,(H,18,19)
InChIKeyYQCISFRTGZYLBI-UHFFFAOYSA-N
XLogP3.29
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol (CID 118101756) is 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol is Nc1cnc2ccc(Br)cc2c1NC1CCCC(O)C1.
What is the InChIKey of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is YQCISFRTGZYLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-9-4-5-14-12(6-9)15(13(17)8-18-14)19-10-2-1-3-11(20)7-10/h4-6,8,10-11,20H,1-3,7,17H2,(H,18,19).
What are the key properties of 3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
3-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 336.23 g/mol, XLogP of 3.29, 2 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]cyclohexan-1-ol is sourced from PubChem (CID 118101756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).