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

C27H34N2O5 — CID 70686154

IUPAC2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine
SMILESCCN(c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12)C1CCOCC1
InChIInChI=1S/C27H34N2O5/c1-6-29(20-10-12-33-13-11-20)23-9-7-8-22-21(23)14-18(2)27(28-22)34-26-24(31-4)15-19(17-30-3)16-25(26)32-5/h7-9,14-16,20H,6,10-13,17H2,1-5H3
InChIKeyGONAGTNBTKCNNH-UHFFFAOYSA-N
MW466.58 g/mol
LogP5.50
Rot. Bonds9

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

2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine (PubChem CID 70686154) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine.

Molecular Properties

Compound Name2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine
PubChem CID70686154
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine
SMILESCCN(c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12)C1CCOCC1
InChIInChI=1S/C27H34N2O5/c1-6-29(20-10-12-33-13-11-20)23-9-7-8-22-21(23)14-18(2)27(28-22)34-26-24(31-4)15-19(17-30-3)16-25(26)32-5/h7-9,14-16,20H,6,10-13,17H2,1-5H3
InChIKeyGONAGTNBTKCNNH-UHFFFAOYSA-N
XLogP5.50
TPSA62.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.50
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-yl)quinolin-5-amine?
The IUPAC name of 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine (CID 70686154) is 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine.
What is the SMILES notation for 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine?
The canonical SMILES for 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine is CCN(c1cccc2nc(Oc3c(OC)cc(COC)cc3OC)c(C)cc12)C1CCOCC1.
What is the InChIKey of 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine?
The InChIKey is GONAGTNBTKCNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-6-29(20-10-12-33-13-11-20)23-9-7-8-22-21(23)14-18(2)27(28-22)34-26-24(31-4)15-19(17-30-3)16-25(26)32-5/h7-9,14-16,20H,6,10-13,17H2,1-5H3.
What are the key properties of 2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine?
2-[2,6-dimethoxy-4-(methoxymethyl)phenoxy]-N-ethyl-3-methyl-N-(oxan-4-yl)quinolin-5-amine has a molecular weight of 466.58 g/mol, XLogP of 5.50, 9 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-yl)quinolin-5-amine is sourced from PubChem (CID 70686154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).