3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol

C17H22N2O2 — CID 102869247

IUPAC3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol
SMILESOCCCN(c1cc(CO)c2ccccc2n1)C1CCC1
InChIInChI=1S/C17H22N2O2/c20-10-4-9-19(14-5-3-6-14)17-11-13(12-21)15-7-1-2-8-16(15)18-17/h1-2,7-8,11,14,20-21H,3-6,9-10,12H2
InChIKeyFGGVCLRZLAJIOR-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.47
Rot. Bonds6

About 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol

3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol (PubChem CID 102869247) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol
PubChem CID102869247
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol
SMILESOCCCN(c1cc(CO)c2ccccc2n1)C1CCC1
InChIInChI=1S/C17H22N2O2/c20-10-4-9-19(14-5-3-6-14)17-11-13(12-21)15-7-1-2-8-16(15)18-17/h1-2,7-8,11,14,20-21H,3-6,9-10,12H2
InChIKeyFGGVCLRZLAJIOR-UHFFFAOYSA-N
XLogP2.47
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol
CID 54995160
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
[2-[cyclopropyl(cyclopropylmethyl)amino]quinolin-4-yl]methanol
CID 64521813
[2-[cyclopentyl(methyl)amino]quinolin-4-yl]methanol
CID 61255815
2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
CID 63884675
3-[cyclobutyl-[3-(hydroxymethyl)isoquinolin-1-yl]amino]propan-1-ol
CID 102869258
4-(aminomethyl)-N-cyclopropyl-N-propylquinolin-2-amine
CID 62299647
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
[2-[cyclopentylmethyl(methyl)amino]quinolin-4-yl]methanol
CID 63631449
N-cyclopentyl-N-ethyl-4-(methylaminomethyl)quinolin-2-amine
CID 62280967
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol (CID 102869247) is 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol is OCCCN(c1cc(CO)c2ccccc2n1)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol?
The InChIKey is FGGVCLRZLAJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-10-4-9-19(14-5-3-6-14)17-11-13(12-21)15-7-1-2-8-16(15)18-17/h1-2,7-8,11,14,20-21H,3-6,9-10,12H2.
What are the key properties of 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol?
3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 102869247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).