2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline

C19H15F3N2O5 — CID 11058632

IUPAC2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESCOc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H15F3N2O5/c1-10-7-15(28-3)23-17-13(24(25)26)9-14(27-2)18(16(10)17)29-12-6-4-5-11(8-12)19(20,21)22/h4-9H,1-3H3
InChIKeyUUMJUNBCKSPWGX-UHFFFAOYSA-N
MW408.33 g/mol
LogP5.28
Rot. Bonds5

About 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline

2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline (PubChem CID 11058632) has the molecular formula C19H15F3N2O5 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
PubChem CID11058632
Molecular FormulaC19H15F3N2O5
Molecular Weight408.33 g/mol
Exact Mass408.09
IUPAC Name2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
SMILESCOc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H15F3N2O5/c1-10-7-15(28-3)23-17-13(24(25)26)9-14(27-2)18(16(10)17)29-12-6-4-5-11(8-12)19(20,21)22/h4-9H,1-3H3
InChIKeyUUMJUNBCKSPWGX-UHFFFAOYSA-N
XLogP5.28
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-4-methyl-8-nitro-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]quinoline
CID 50993596
5-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 121380099
2,6-dimethoxy-4-methyl-5-(3-methylphenyl)-8-nitroquinoline
CID 50993521
N-[4-methoxy-2-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 541150
4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 25224474
butanedioic acid;4-N-[6-methoxy-4-methyl-2-(trideuteriomethoxy)-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 154731824
1,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]isoquinolin-8-amine
CID 69439162
2,4-dimethoxy-5-methyl-8-nitroquinoline
CID 70164477
8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 164876680
1-methoxy-3-nitro-5-[3-(trifluoromethyl)phenoxy]benzene
CID 166074049
2,6-dimethoxy-4-[[[6-methoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]amino]methyl]phenol
CID 118707112
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
The IUPAC name of 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline (CID 11058632) is 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline.
What is the SMILES notation for 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
The canonical SMILES for 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline is COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc([N+](=O)[O-])c2n1.
What is the InChIKey of 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
The InChIKey is UUMJUNBCKSPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O5/c1-10-7-15(28-3)23-17-13(24(25)26)9-14(27-2)18(16(10)17)29-12-6-4-5-11(8-12)19(20,21)22/h4-9H,1-3H3.
What are the key properties of 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline?
2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline has a molecular weight of 408.33 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-methyl-8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline is sourced from PubChem (CID 11058632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).