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

C15H18BrN3O — CID 43621181

IUPAC4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol
SMILESNc1cnc2ccc(Br)cc2c1NC1CCC(O)CC1
InChIInChI=1S/C15H18BrN3O/c16-9-1-6-14-12(7-9)15(13(17)8-18-14)19-10-2-4-11(20)5-3-10/h1,6-8,10-11,20H,2-5,17H2,(H,18,19)
InChIKeyDTZCJFUZLHURTJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.29
Rot. Bonds2

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

4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol (PubChem CID 43621181) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol
PubChem CID43621181
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol
SMILESNc1cnc2ccc(Br)cc2c1NC1CCC(O)CC1
InChIInChI=1S/C15H18BrN3O/c16-9-1-6-14-12(7-9)15(13(17)8-18-14)19-10-2-4-11(20)5-3-10/h1,6-8,10-11,20H,2-5,17H2,(H,18,19)
InChIKeyDTZCJFUZLHURTJ-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 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol (CID 43621181) is 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol is Nc1cnc2ccc(Br)cc2c1NC1CCC(O)CC1.
What is the InChIKey of 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is DTZCJFUZLHURTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-9-1-6-14-12(7-9)15(13(17)8-18-14)19-10-2-4-11(20)5-3-10/h1,6-8,10-11,20H,2-5,17H2,(H,18,19).
What are the key properties of 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol?
4-[(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 4-[(3-amino-6-bromoquinolin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43621181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).