3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline

C17H15ClN2O — CID 155171674

IUPAC3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline
SMILESCNc1cc(C)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11-7-13(19-2)9-15(18)17(11)21-14-8-12-5-3-4-6-16(12)20-10-14/h3-10,19H,1-2H3
InChIKeyJYWUXJDMQLXQJF-UHFFFAOYSA-N
MW298.77 g/mol
LogP5.03
Rot. Bonds3

About 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline

3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline (PubChem CID 155171674) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline.

Molecular Properties

Compound Name3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline
PubChem CID155171674
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline
SMILESCNc1cc(C)c(Oc2cnc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-11-7-13(19-2)9-15(18)17(11)21-14-8-12-5-3-4-6-16(12)20-10-14/h3-10,19H,1-2H3
InChIKeyJYWUXJDMQLXQJF-UHFFFAOYSA-N
XLogP5.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.77
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline?
The IUPAC name of 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline (CID 155171674) is 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline.
What is the SMILES notation for 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline?
The canonical SMILES for 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline is CNc1cc(C)c(Oc2cnc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline?
The InChIKey is JYWUXJDMQLXQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-7-13(19-2)9-15(18)17(11)21-14-8-12-5-3-4-6-16(12)20-10-14/h3-10,19H,1-2H3.
What are the key properties of 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline?
3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline has a molecular weight of 298.77 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline is sourced from PubChem (CID 155171674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).