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'}

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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).