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

C16H20BrN3O — CID 102631408

IUPAC2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1c(N)cnc2ccc(Br)cc12)C1CCCCC1O
InChIInChI=1S/C16H20BrN3O/c1-20(14-4-2-3-5-15(14)21)16-11-8-10(17)6-7-13(11)19-9-12(16)18/h6-9,14-15,21H,2-5,18H2,1H3
InChIKeyBECFSNAQITWXLW-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.32
Rot. Bonds2

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

2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102631408) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102631408
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1c(N)cnc2ccc(Br)cc12)C1CCCCC1O
InChIInChI=1S/C16H20BrN3O/c1-20(14-4-2-3-5-15(14)21)16-11-8-10(17)6-7-13(11)19-9-12(16)18/h6-9,14-15,21H,2-5,18H2,1H3
InChIKeyBECFSNAQITWXLW-UHFFFAOYSA-N
XLogP3.32
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
6-bromo-4-N-(cyclobutylmethyl)-4-N-methylquinoline-3,4-diamine
CID 55125947
6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
CID 61431679
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 43621315
6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
CID 43621145
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
CID 81450399
6-bromo-4-N-(2,2-dimethylcyclopentyl)quinoline-3,4-diamine
CID 79861972
6-bromo-4-N,4-N-bis(2-methoxyethyl)quinoline-3,4-diamine
CID 43621365
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol (CID 102631408) is 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1c(N)cnc2ccc(Br)cc12)C1CCCCC1O.
What is the InChIKey of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is BECFSNAQITWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-20(14-4-2-3-5-15(14)21)16-11-8-10(17)6-7-13(11)19-9-12(16)18/h6-9,14-15,21H,2-5,18H2,1H3.
What are the key properties of 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102631408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).