[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol

C15H19N3O — CID 61410857

IUPAC[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
SMILESNCc1cc2ccccc2nc1N1CCCC1CO
InChIInChI=1S/C15H19N3O/c16-9-12-8-11-4-1-2-6-14(11)17-15(12)18-7-3-5-13(18)10-19/h1-2,4,6,8,13,19H,3,5,7,9-10,16H2
InChIKeySAZXLDQTFYGYPW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.65
Rot. Bonds3

About [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol

[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 61410857) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID61410857
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
SMILESNCc1cc2ccccc2nc1N1CCCC1CO
InChIInChI=1S/C15H19N3O/c16-9-12-8-11-4-1-2-6-14(11)17-15(12)18-7-3-5-13(18)10-19/h1-2,4,6,8,13,19H,3,5,7,9-10,16H2
InChIKeySAZXLDQTFYGYPW-UHFFFAOYSA-N
XLogP1.65
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol (CID 61410857) is [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol is NCc1cc2ccccc2nc1N1CCCC1CO.
What is the InChIKey of [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SAZXLDQTFYGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-12-8-11-4-1-2-6-14(11)17-15(12)18-7-3-5-13(18)10-19/h1-2,4,6,8,13,19H,3,5,7,9-10,16H2.
What are the key properties of [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol?
[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 257.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61410857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).