N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine

C16H20N2O2 — CID 63377053

IUPACN-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine
SMILESCNCc1cc(OCC2CCOC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-17-9-13-8-16(20-11-12-6-7-19-10-12)14-4-2-3-5-15(14)18-13/h2-5,8,12,17H,6-7,9-11H2,1H3
InChIKeyOXZQFHLZKGFCNG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine

N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine (PubChem CID 63377053) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine
PubChem CID63377053
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine
SMILESCNCc1cc(OCC2CCOC2)c2ccccc2n1
InChIInChI=1S/C16H20N2O2/c1-17-9-13-8-16(20-11-12-6-7-19-10-12)14-4-2-3-5-15(14)18-13/h2-5,8,12,17H,6-7,9-11H2,1H3
InChIKeyOXZQFHLZKGFCNG-UHFFFAOYSA-N
XLogP2.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine (CID 63377053) is N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine is CNCc1cc(OCC2CCOC2)c2ccccc2n1.
What is the InChIKey of N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine?
The InChIKey is OXZQFHLZKGFCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-9-13-8-16(20-11-12-6-7-19-10-12)14-4-2-3-5-15(14)18-13/h2-5,8,12,17H,6-7,9-11H2,1H3.
What are the key properties of N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine?
N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(oxolan-3-ylmethoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 63377053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).