3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline

C17H15ClN2O2 — CID 155171669

IUPAC3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline
SMILESCNc1cc(Cl)c(Oc2cnc3ccccc3c2)c(OC)c1
InChIInChI=1S/C17H15ClN2O2/c1-19-12-8-14(18)17(16(9-12)21-2)22-13-7-11-5-3-4-6-15(11)20-10-13/h3-10,19H,1-2H3
InChIKeyAXKFFIHHERWPGK-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.73
Rot. Bonds4

About 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline

3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline (PubChem CID 155171669) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline
PubChem CID155171669
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline
SMILESCNc1cc(Cl)c(Oc2cnc3ccccc3c2)c(OC)c1
InChIInChI=1S/C17H15ClN2O2/c1-19-12-8-14(18)17(16(9-12)21-2)22-13-7-11-5-3-4-6-15(11)20-10-13/h3-10,19H,1-2H3
InChIKeyAXKFFIHHERWPGK-UHFFFAOYSA-N
XLogP4.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline?
The IUPAC name of 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline (CID 155171669) is 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline.
What is the SMILES notation for 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline?
The canonical SMILES for 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline is CNc1cc(Cl)c(Oc2cnc3ccccc3c2)c(OC)c1.
What is the InChIKey of 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline?
The InChIKey is AXKFFIHHERWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-19-12-8-14(18)17(16(9-12)21-2)22-13-7-11-5-3-4-6-15(11)20-10-13/h3-10,19H,1-2H3.
What are the key properties of 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline?
3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline has a molecular weight of 314.77 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline is sourced from PubChem (CID 155171669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).