1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine

C19H26N4 — CID 69313741

IUPAC1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
SMILESc1ccc2nc(CNC[C@@H]3CCCN3CC3CNC3)ccc2c1
InChIInChI=1S/C19H26N4/c1-2-6-19-16(4-1)7-8-17(22-19)12-21-13-18-5-3-9-23(18)14-15-10-20-11-15/h1-2,4,6-8,15,18,20-21H,3,5,9-14H2/t18-/m0/s1
InChIKeyHZKPUQARYNVNBA-SFHVURJKSA-N
MW310.44 g/mol
LogP2.01
Rot. Bonds6

About 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine

1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine (PubChem CID 69313741) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
PubChem CID69313741
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
SMILESc1ccc2nc(CNC[C@@H]3CCCN3CC3CNC3)ccc2c1
InChIInChI=1S/C19H26N4/c1-2-6-19-16(4-1)7-8-17(22-19)12-21-13-18-5-3-9-23(18)14-15-10-20-11-15/h1-2,4,6-8,15,18,20-21H,3,5,9-14H2/t18-/m0/s1
InChIKeyHZKPUQARYNVNBA-SFHVURJKSA-N
XLogP2.01
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine (CID 69313741) is 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine is c1ccc2nc(CNC[C@@H]3CCCN3CC3CNC3)ccc2c1.
What is the InChIKey of 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
The InChIKey is HZKPUQARYNVNBA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-6-19-16(4-1)7-8-17(22-19)12-21-13-18-5-3-9-23(18)14-15-10-20-11-15/h1-2,4,6-8,15,18,20-21H,3,5,9-14H2/t18-/m0/s1.
What are the key properties of 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine?
1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine has a molecular weight of 310.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine is sourced from PubChem (CID 69313741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).