[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol

C16H20N2O2 — CID 79235310

IUPAC[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(O)C2(CN)CCOC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11-8-13(12-4-2-3-5-14(12)18-11)15(19)16(9-17)6-7-20-10-16/h2-5,8,15,19H,6-7,9-10,17H2,1H3
InChIKeyLWIZUGHFDXJILF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.94
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol

[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol (PubChem CID 79235310) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol
PubChem CID79235310
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol
SMILESCc1cc(C(O)C2(CN)CCOC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-11-8-13(12-4-2-3-5-14(12)18-11)15(19)16(9-17)6-7-20-10-16/h2-5,8,15,19H,6-7,9-10,17H2,1H3
InChIKeyLWIZUGHFDXJILF-UHFFFAOYSA-N
XLogP1.94
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol 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 [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol (CID 79235310) is [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol is Cc1cc(C(O)C2(CN)CCOC2)c2ccccc2n1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol?
The InChIKey is LWIZUGHFDXJILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-8-13(12-4-2-3-5-14(12)18-11)15(19)16(9-17)6-7-20-10-16/h2-5,8,15,19H,6-7,9-10,17H2,1H3.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol?
[3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol has a molecular weight of 272.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxolan-3-yl]-(2-methylquinolin-4-yl)methanol is sourced from PubChem (CID 79235310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).