2-(4-chloro-3-ethylphenoxy)quinolin-6-amine

C17H15ClN2O — CID 43451123

IUPAC2-(4-chloro-3-ethylphenoxy)quinolin-6-amine
SMILESCCc1cc(Oc2ccc3cc(N)ccc3n2)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-2-11-10-14(5-6-15(11)18)21-17-8-3-12-9-13(19)4-7-16(12)20-17/h3-10H,2,19H2,1H3
InChIKeyMVSOSJLTMNQHIJ-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.83
Rot. Bonds3

About 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine

2-(4-chloro-3-ethylphenoxy)quinolin-6-amine (PubChem CID 43451123) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)quinolin-6-amine
PubChem CID43451123
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(4-chloro-3-ethylphenoxy)quinolin-6-amine
SMILESCCc1cc(Oc2ccc3cc(N)ccc3n2)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-2-11-10-14(5-6-15(11)18)21-17-8-3-12-9-13(19)4-7-16(12)20-17/h3-10H,2,19H2,1H3
InChIKeyMVSOSJLTMNQHIJ-UHFFFAOYSA-N
XLogP4.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.83
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 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine (CID 43451123) is 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine is CCc1cc(Oc2ccc3cc(N)ccc3n2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine?
The InChIKey is MVSOSJLTMNQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-2-11-10-14(5-6-15(11)18)21-17-8-3-12-9-13(19)4-7-16(12)20-17/h3-10H,2,19H2,1H3.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine?
2-(4-chloro-3-ethylphenoxy)quinolin-6-amine has a molecular weight of 298.77 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)quinolin-6-amine is sourced from PubChem (CID 43451123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).