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

C16H21N3O — CID 115967098

IUPAC1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2cc3ccccc3nc2N)C1
InChIInChI=1S/C16H21N3O/c1-11(20)13-6-7-19(9-13)10-14-8-12-4-2-3-5-15(12)18-16(14)17/h2-5,8,11,13,20H,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyZJGFPSHEEZFPSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.02
Rot. Bonds3

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

1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115967098) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115967098
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2cc3ccccc3nc2N)C1
InChIInChI=1S/C16H21N3O/c1-11(20)13-6-7-19(9-13)10-14-8-12-4-2-3-5-15(12)18-16(14)17/h2-5,8,11,13,20H,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyZJGFPSHEEZFPSH-UHFFFAOYSA-N
XLogP2.02
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115967098) is 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2cc3ccccc3nc2N)C1.
What is the InChIKey of 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ZJGFPSHEEZFPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(20)13-6-7-19(9-13)10-14-8-12-4-2-3-5-15(12)18-16(14)17/h2-5,8,11,13,20H,6-7,9-10H2,1H3,(H2,17,18).
What are the key properties of 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115967098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).