2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol

C27H25F3N2O5 — CID 118707112

IUPAC2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol
SMILESCOc1cc(CNc2cc(OC)c(Oc3cccc(C(F)(F)F)c3)c3c(C)ccnc23)cc(OC)c1O
InChIInChI=1S/C27H25F3N2O5/c1-15-8-9-31-24-19(32-14-16-10-20(34-2)25(33)21(11-16)35-3)13-22(36-4)26(23(15)24)37-18-7-5-6-17(12-18)27(28,29)30/h5-13,32-33H,14H2,1-4H3
InChIKeyAWPZAYIKXXCPFD-UHFFFAOYSA-N
MW514.50 g/mol
LogP6.70
Rot. Bonds8

About 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol

2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol (PubChem CID 118707112) has the molecular formula C27H25F3N2O5 and a molecular weight of 514.50 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol
PubChem CID118707112
Molecular FormulaC27H25F3N2O5
Molecular Weight514.50 g/mol
Exact Mass514.17
IUPAC Name2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol
SMILESCOc1cc(CNc2cc(OC)c(Oc3cccc(C(F)(F)F)c3)c3c(C)ccnc23)cc(OC)c1O
InChIInChI=1S/C27H25F3N2O5/c1-15-8-9-31-24-19(32-14-16-10-20(34-2)25(33)21(11-16)35-3)13-22(36-4)26(23(15)24)37-18-7-5-6-17(12-18)27(28,29)30/h5-13,32-33H,14H2,1-4H3
InChIKeyAWPZAYIKXXCPFD-UHFFFAOYSA-N
XLogP6.70
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.50
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol with MolForge

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Related Compounds

4-[[[5-[3-(1,1-difluoroethyl)phenoxy]-6-methoxy-4-methylquinolin-8-yl]amino]methyl]phenol
CID 159149548
4-N-[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]hexane-1,4-diamine
CID 13268306
1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine
CID 69439162
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 151866789
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 11058632
2,6-dimethoxy-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042152
4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 12827754
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 25224474
tert-butyl N-[4-[[1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-yl]amino]pentyl]carbamate
CID 69411664
5-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 121380099
butanedioic acid;4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 154731824

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol (CID 118707112) is 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol is COc1cc(CNc2cc(OC)c(Oc3cccc(C(F)(F)F)c3)c3c(C)ccnc23)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol?
The InChIKey is AWPZAYIKXXCPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O5/c1-15-8-9-31-24-19(32-14-16-10-20(34-2)25(33)21(11-16)35-3)13-22(36-4)26(23(15)24)37-18-7-5-6-17(12-18)27(28,29)30/h5-13,32-33H,14H2,1-4H3.
What are the key properties of 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol?
2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol has a molecular weight of 514.50 g/mol, XLogP of 6.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol is sourced from PubChem (CID 118707112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).