2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine

C28H36N2O5 — CID 70681899

IUPAC2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine
SMILESCCN(CC1CCOCC1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
InChIInChI=1S/C28H36N2O5/c1-6-30(17-20-10-12-34-13-11-20)24-9-7-8-23-22(24)14-19(2)28(29-23)35-27-25(32-4)15-21(18-31-3)16-26(27)33-5/h7-9,14-16,20H,6,10-13,17-18H2,1-5H3
InChIKeyVVAPCBFQSJRQEX-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.75
Rot. Bonds10

About 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine

2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine (PubChem CID 70681899) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine.

Molecular Properties

Compound Name2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine
PubChem CID70681899
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine
SMILESCCN(CC1CCOCC1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12
InChIInChI=1S/C28H36N2O5/c1-6-30(17-20-10-12-34-13-11-20)24-9-7-8-23-22(24)14-19(2)28(29-23)35-27-25(32-4)15-21(18-31-3)16-26(27)33-5/h7-9,14-16,20H,6,10-13,17-18H2,1-5H3
InChIKeyVVAPCBFQSJRQEX-UHFFFAOYSA-N
XLogP5.75
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine?
The IUPAC name of 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine (CID 70681899) is 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine.
What is the SMILES notation for 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine?
The canonical SMILES for 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine is CCN(CC1CCOCC1)c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12.
What is the InChIKey of 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine?
The InChIKey is VVAPCBFQSJRQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-6-30(17-20-10-12-34-13-11-20)24-9-7-8-23-22(24)14-19(2)28(29-23)35-27-25(32-4)15-21(18-31-3)16-26(27)33-5/h7-9,14-16,20H,6,10-13,17-18H2,1-5H3.
What are the key properties of 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine?
2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine has a molecular weight of 480.61 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-ylmethyl)quinolin-5-amine is sourced from PubChem (CID 70681899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).