3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline

C16H12Cl2N2O — CID 43351628

IUPAC3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
SMILESNc1cc(Cl)c(OCc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c17-13-7-11(19)8-14(18)16(13)21-9-12-6-5-10-3-1-2-4-15(10)20-12/h1-8H,9,19H2
InChIKeyWRQSSIIIDZFZJC-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.70
Rot. Bonds3

About 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline

3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline (PubChem CID 43351628) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
PubChem CID43351628
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
SMILESNc1cc(Cl)c(OCc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O/c17-13-7-11(19)8-14(18)16(13)21-9-12-6-5-10-3-1-2-4-15(10)20-12/h1-8H,9,19H2
InChIKeyWRQSSIIIDZFZJC-UHFFFAOYSA-N
XLogP4.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline 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

[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 61389098
3-bromo-5-(quinolin-2-ylmethoxy)aniline
CID 103588166
3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline
CID 62099179
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
3-chloro-4-(quinolin-2-ylmethyl)aniline
CID 107615850
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
4-chloro-2-(phenoxymethyl)quinoline
CID 134835185
3-amino-4-(quinolin-2-ylmethoxyamino)cyclobut-3-ene-1,2-dione
CID 142648858
1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 23132798

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline?
The IUPAC name of 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline (CID 43351628) is 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline.
What is the SMILES notation for 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline?
The canonical SMILES for 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline is Nc1cc(Cl)c(OCc2ccc3ccccc3n2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline?
The InChIKey is WRQSSIIIDZFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-13-7-11(19)8-14(18)16(13)21-9-12-6-5-10-3-1-2-4-15(10)20-12/h1-8H,9,19H2.
What are the key properties of 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline?
3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline has a molecular weight of 319.19 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline is sourced from PubChem (CID 43351628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).