4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride

C17H18Cl2N2O3 — CID 118991674

IUPAC4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
SMILESCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC.Cl.Cl
InChIInChI=1S/C17H16N2O3.2ClH/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12;;/h3-10H,18H2,1-2H3;2*1H
InChIKeyAHNZARFQYWBFBU-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.47
Rot. Bonds4

About 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride (PubChem CID 118991674) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
PubChem CID118991674
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
SMILESCOc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC.Cl.Cl
InChIInChI=1S/C17H16N2O3.2ClH/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12;;/h3-10H,18H2,1-2H3;2*1H
InChIKeyAHNZARFQYWBFBU-UHFFFAOYSA-N
XLogP4.47
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride?
The IUPAC name of 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride (CID 118991674) is 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride.
What is the SMILES notation for 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride?
The canonical SMILES for 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride is COc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC.Cl.Cl.
What is the InChIKey of 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride?
The InChIKey is AHNZARFQYWBFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3.2ClH/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12;;/h3-10H,18H2,1-2H3;2*1H.
What are the key properties of 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride?
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride has a molecular weight of 369.25 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride is sourced from PubChem (CID 118991674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).