4-(4-chloro-2-methylphenoxy)quinolin-8-amine

C16H13ClN2O — CID 83060835

IUPAC4-(4-chloro-2-methylphenoxy)quinolin-8-amine
SMILESCc1cc(Cl)ccc1Oc1ccnc2c(N)cccc12
InChIInChI=1S/C16H13ClN2O/c1-10-9-11(17)5-6-14(10)20-15-7-8-19-16-12(15)3-2-4-13(16)18/h2-9H,18H2,1H3
InChIKeyDMIGSFWBKNWSKD-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.57
Rot. Bonds2

About 4-(4-chloro-2-methylphenoxy)quinolin-8-amine

4-(4-chloro-2-methylphenoxy)quinolin-8-amine (PubChem CID 83060835) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)quinolin-8-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)quinolin-8-amine
PubChem CID83060835
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-(4-chloro-2-methylphenoxy)quinolin-8-amine
SMILESCc1cc(Cl)ccc1Oc1ccnc2c(N)cccc12
InChIInChI=1S/C16H13ClN2O/c1-10-9-11(17)5-6-14(10)20-15-7-8-19-16-12(15)3-2-4-13(16)18/h2-9H,18H2,1H3
InChIKeyDMIGSFWBKNWSKD-UHFFFAOYSA-N
XLogP4.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.57
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

5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
CID 43449591
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
4-(4-chloro-3-fluorophenoxy)quinolin-8-amine
CID 83060401
4-[2-fluoro-5-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 86692246
4-quinolin-8-yloxyquinolin-8-amine
CID 130319854
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
4-(3-bromophenoxy)quinolin-8-amine
CID 83060320
4-propan-2-yloxyquinolin-8-amine
CID 83060477
8-chloro-4-(2,5-dimethylphenoxy)quinoline
CID 19879064

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)quinolin-8-amine?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)quinolin-8-amine (CID 83060835) is 4-(4-chloro-2-methylphenoxy)quinolin-8-amine.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)quinolin-8-amine?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)quinolin-8-amine is Cc1cc(Cl)ccc1Oc1ccnc2c(N)cccc12.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)quinolin-8-amine?
The InChIKey is DMIGSFWBKNWSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-9-11(17)5-6-14(10)20-15-7-8-19-16-12(15)3-2-4-13(16)18/h2-9H,18H2,1H3.
What are the key properties of 4-(4-chloro-2-methylphenoxy)quinolin-8-amine?
4-(4-chloro-2-methylphenoxy)quinolin-8-amine has a molecular weight of 284.75 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)quinolin-8-amine is sourced from PubChem (CID 83060835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).