2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol

C15H18N2O2 — CID 54995160

IUPAC2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol
SMILESOCCN(c1cc(CO)c2ccccc2n1)C1CC1
InChIInChI=1S/C15H18N2O2/c18-8-7-17(12-5-6-12)15-9-11(10-19)13-3-1-2-4-14(13)16-15/h1-4,9,12,18-19H,5-8,10H2
InChIKeyWDRGTYZSCUZWBC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.69
Rot. Bonds5

About 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol

2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol (PubChem CID 54995160) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol
PubChem CID54995160
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol
SMILESOCCN(c1cc(CO)c2ccccc2n1)C1CC1
InChIInChI=1S/C15H18N2O2/c18-8-7-17(12-5-6-12)15-9-11(10-19)13-3-1-2-4-14(13)16-15/h1-4,9,12,18-19H,5-8,10H2
InChIKeyWDRGTYZSCUZWBC-UHFFFAOYSA-N
XLogP1.69
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol (CID 54995160) is 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol is OCCN(c1cc(CO)c2ccccc2n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol?
The InChIKey is WDRGTYZSCUZWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-8-7-17(12-5-6-12)15-9-11(10-19)13-3-1-2-4-14(13)16-15/h1-4,9,12,18-19H,5-8,10H2.
What are the key properties of 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol?
2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol has a molecular weight of 258.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(hydroxymethyl)quinolin-2-yl]amino]ethanol is sourced from PubChem (CID 54995160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).