1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol

C15H19N3O — CID 112624178

IUPAC1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc3cc(N)ccc3n2)C1
InChIInChI=1S/C15H19N3O/c1-10(19)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)17-15/h2-5,8,10,12,19H,6-7,9,16H2,1H3
InChIKeyOCDXKFKRXQTODQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds2

About 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112624178) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID112624178
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc3cc(N)ccc3n2)C1
InChIInChI=1S/C15H19N3O/c1-10(19)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)17-15/h2-5,8,10,12,19H,6-7,9,16H2,1H3
InChIKeyOCDXKFKRXQTODQ-UHFFFAOYSA-N
XLogP2.02
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol (CID 112624178) is 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc3cc(N)ccc3n2)C1.
What is the InChIKey of 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is OCDXKFKRXQTODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(19)12-6-7-18(9-12)15-5-2-11-8-13(16)3-4-14(11)17-15/h2-5,8,10,12,19H,6-7,9,16H2,1H3.
What are the key properties of 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 257.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-aminoquinolin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).