[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol

C17H23N3O — CID 103965467

IUPAC[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1cnc2ccccc2c1NCC1(CO)CCCCC1
InChIInChI=1S/C17H23N3O/c18-14-10-19-15-7-3-2-6-13(15)16(14)20-11-17(12-21)8-4-1-5-9-17/h2-3,6-7,10,21H,1,4-5,8-9,11-12,18H2,(H,19,20)
InChIKeyFPWPYHIXANZGLE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds4

About [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103965467) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103965467
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1cnc2ccccc2c1NCC1(CO)CCCCC1
InChIInChI=1S/C17H23N3O/c18-14-10-19-15-7-3-2-6-13(15)16(14)20-11-17(12-21)8-4-1-5-9-17/h2-3,6-7,10,21H,1,4-5,8-9,11-12,18H2,(H,19,20)
InChIKeyFPWPYHIXANZGLE-UHFFFAOYSA-N
XLogP3.17
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol (CID 103965467) is [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol is Nc1cnc2ccccc2c1NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is FPWPYHIXANZGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-14-10-19-15-7-3-2-6-13(15)16(14)20-11-17(12-21)8-4-1-5-9-17/h2-3,6-7,10,21H,1,4-5,8-9,11-12,18H2,(H,19,20).
What are the key properties of [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103965467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).