5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine

C17H15ClN2O — CID 43449591

IUPAC5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(N)c2ncccc12
InChIInChI=1S/C17H15ClN2O/c1-10-8-12(18)9-11(2)17(10)21-15-6-5-14(19)16-13(15)4-3-7-20-16/h3-9H,19H2,1-2H3
InChIKeyQZWPFJLCVBKACV-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.88
Rot. Bonds2

About 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine

5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine (PubChem CID 43449591) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
PubChem CID43449591
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
SMILESCc1cc(Cl)cc(C)c1Oc1ccc(N)c2ncccc12
InChIInChI=1S/C17H15ClN2O/c1-10-8-12(18)9-11(2)17(10)21-15-6-5-14(19)16-13(15)4-3-7-20-16/h3-9H,19H2,1-2H3
InChIKeyQZWPFJLCVBKACV-UHFFFAOYSA-N
XLogP4.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-methylphenoxy)quinolin-8-amine
CID 83060835
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
5-(4-bromo-3,5-dimethylphenoxy)quinolin-8-amine
CID 107722592
5-[(2-methyl-4-pyridinyl)oxy]quinolin-8-amine
CID 116525610
5-[(5-bromo-3-methyl-2-pyridinyl)oxy]quinolin-8-amine
CID 116525570
3-(8-aminoquinolin-5-yl)oxy-4-methylbenzonitrile
CID 107655230
8-(3,5-dichlorophenoxy)quinolin-5-amine
CID 43621813
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-propan-2-yloxyquinolin-8-amine
CID 43449641

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine?
The IUPAC name of 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine (CID 43449591) is 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine.
What is the SMILES notation for 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine?
The canonical SMILES for 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine is Cc1cc(Cl)cc(C)c1Oc1ccc(N)c2ncccc12.
What is the InChIKey of 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine?
The InChIKey is QZWPFJLCVBKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-8-12(18)9-11(2)17(10)21-15-6-5-14(19)16-13(15)4-3-7-20-16/h3-9H,19H2,1-2H3.
What are the key properties of 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine?
5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine has a molecular weight of 298.77 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine is sourced from PubChem (CID 43449591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).