[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol

C17H21BrN2O — CID 116783182

IUPAC[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2cccc3cc(Br)cnc23)CCCCC1
InChIInChI=1S/C17H21BrN2O/c18-14-9-13-5-4-6-15(16(13)19-10-14)20-11-17(12-21)7-2-1-3-8-17/h4-6,9-10,20-21H,1-3,7-8,11-12H2
InChIKeyVIMFQWAAKNJVIB-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.35
Rot. Bonds4

About [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol

[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 116783182) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol
PubChem CID116783182
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2cccc3cc(Br)cnc23)CCCCC1
InChIInChI=1S/C17H21BrN2O/c18-14-9-13-5-4-6-15(16(13)19-10-14)20-11-17(12-21)7-2-1-3-8-17/h4-6,9-10,20-21H,1-3,7-8,11-12H2
InChIKeyVIMFQWAAKNJVIB-UHFFFAOYSA-N
XLogP4.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

(E)-4-[(3-bromoquinolin-8-yl)amino]but-2-enoic acid
CID 103267533
3-bromo-N-phenylquinolin-8-amine
CID 86754991
5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
CID 116784480
[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
2-bromo-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114881316
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
CID 116784263
4-bromo-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114902140
5-[[(3-bromoquinolin-8-yl)amino]methyl]furan-2-carboxylic acid
CID 116783544
2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116784204
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol (CID 116783182) is [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol is OCC1(CNc2cccc3cc(Br)cnc23)CCCCC1.
What is the InChIKey of [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is VIMFQWAAKNJVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-14-9-13-5-4-6-15(16(13)19-10-14)20-11-17(12-21)7-2-1-3-8-17/h4-6,9-10,20-21H,1-3,7-8,11-12H2.
What are the key properties of [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 349.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-bromoquinolin-8-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 116783182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).