2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine

C13H17N3O — CID 55062590

IUPAC2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine
SMILESCOCc1cc(N)c2cc(N(C)C)ccc2n1
InChIInChI=1S/C13H17N3O/c1-16(2)10-4-5-13-11(7-10)12(14)6-9(15-13)8-17-3/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyFOQYTKNVCBRGBN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.03
Rot. Bonds3

About 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine

2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine (PubChem CID 55062590) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine
PubChem CID55062590
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine
SMILESCOCc1cc(N)c2cc(N(C)C)ccc2n1
InChIInChI=1S/C13H17N3O/c1-16(2)10-4-5-13-11(7-10)12(14)6-9(15-13)8-17-3/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyFOQYTKNVCBRGBN-UHFFFAOYSA-N
XLogP2.03
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine?
The IUPAC name of 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine (CID 55062590) is 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine.
What is the SMILES notation for 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine?
The canonical SMILES for 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine is COCc1cc(N)c2cc(N(C)C)ccc2n1.
What is the InChIKey of 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine?
The InChIKey is FOQYTKNVCBRGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(2)10-4-5-13-11(7-10)12(14)6-9(15-13)8-17-3/h4-7H,8H2,1-3H3,(H2,14,15).
What are the key properties of 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine?
2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-N,6-N-dimethylquinoline-4,6-diamine is sourced from PubChem (CID 55062590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).