2-(6,7-dimethoxyquinolin-3-yl)oxyaniline

C17H16N2O3 — CID 141479585

IUPAC2-(6,7-dimethoxyquinolin-3-yl)oxyaniline
SMILESCOc1cc2cc(Oc3ccccc3N)cnc2cc1OC
InChIInChI=1S/C17H16N2O3/c1-20-16-8-11-7-12(10-19-14(11)9-17(16)21-2)22-15-6-4-3-5-13(15)18/h3-10H,18H2,1-2H3
InChIKeyCHRPQXOODDNVDK-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.63
Rot. Bonds4

About 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline

2-(6,7-dimethoxyquinolin-3-yl)oxyaniline (PubChem CID 141479585) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-3-yl)oxyaniline
PubChem CID141479585
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(6,7-dimethoxyquinolin-3-yl)oxyaniline
SMILESCOc1cc2cc(Oc3ccccc3N)cnc2cc1OC
InChIInChI=1S/C17H16N2O3/c1-20-16-8-11-7-12(10-19-14(11)9-17(16)21-2)22-15-6-4-3-5-13(15)18/h3-10H,18H2,1-2H3
InChIKeyCHRPQXOODDNVDK-UHFFFAOYSA-N
XLogP3.63
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
2-(3,4,5-trimethoxyphenoxy)aniline
CID 11173411
(6,7-dimethoxyquinolin-3-yl)oxyboronic acid
CID 156654423
3-(3,5-diphenylphenyl)-6,7-dimethoxyquinoline
CID 56596003
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
2-methoxyaniline;dihydrochloride
CID 69020746
ethane;2-isoquinolin-7-yloxyaniline
CID 91030304
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
6,7-dimethoxy-2-tritioquinoline
CID 173196724
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
2-[2-[4-[2-(2-aminophenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 22338373

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline?
The IUPAC name of 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline (CID 141479585) is 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline is COc1cc2cc(Oc3ccccc3N)cnc2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline?
The InChIKey is CHRPQXOODDNVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-20-16-8-11-7-12(10-19-14(11)9-17(16)21-2)22-15-6-4-3-5-13(15)18/h3-10H,18H2,1-2H3.
What are the key properties of 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline?
2-(6,7-dimethoxyquinolin-3-yl)oxyaniline has a molecular weight of 296.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-3-yl)oxyaniline is sourced from PubChem (CID 141479585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).