[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine

C16H21N3O — CID 62299635

IUPAC[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine
SMILESCC1CN(c2cc(CN)c3ccccc3n2)CC(C)O1
InChIInChI=1S/C16H21N3O/c1-11-9-19(10-12(2)20-11)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10,17H2,1-2H3
InChIKeyPDTVBXFSJCCPKL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.31
Rot. Bonds2

About [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine

[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine (PubChem CID 62299635) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine
PubChem CID62299635
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine
SMILESCC1CN(c2cc(CN)c3ccccc3n2)CC(C)O1
InChIInChI=1S/C16H21N3O/c1-11-9-19(10-12(2)20-11)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10,17H2,1-2H3
InChIKeyPDTVBXFSJCCPKL-UHFFFAOYSA-N
XLogP2.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine (CID 62299635) is [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine is CC1CN(c2cc(CN)c3ccccc3n2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine?
The InChIKey is PDTVBXFSJCCPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-19(10-12(2)20-11)16-7-13(8-17)14-5-3-4-6-15(14)18-16/h3-7,11-12H,8-10,17H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine?
[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine is sourced from PubChem (CID 62299635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).