6-(2-chloro-5-methylphenoxy)quinolin-5-amine

C16H13ClN2O — CID 43809883

IUPAC6-(2-chloro-5-methylphenoxy)quinolin-5-amine
SMILESCc1ccc(Cl)c(Oc2ccc3ncccc3c2N)c1
InChIInChI=1S/C16H13ClN2O/c1-10-4-5-12(17)15(9-10)20-14-7-6-13-11(16(14)18)3-2-8-19-13/h2-9H,18H2,1H3
InChIKeyIPEMZHWUGULZPH-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.57
Rot. Bonds2

About 6-(2-chloro-5-methylphenoxy)quinolin-5-amine

6-(2-chloro-5-methylphenoxy)quinolin-5-amine (PubChem CID 43809883) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 6-(2-chloro-5-methylphenoxy)quinolin-5-amine.

Molecular Properties

Compound Name6-(2-chloro-5-methylphenoxy)quinolin-5-amine
PubChem CID43809883
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name6-(2-chloro-5-methylphenoxy)quinolin-5-amine
SMILESCc1ccc(Cl)c(Oc2ccc3ncccc3c2N)c1
InChIInChI=1S/C16H13ClN2O/c1-10-4-5-12(17)15(9-10)20-14-7-6-13-11(16(14)18)3-2-8-19-13/h2-9H,18H2,1H3
InChIKeyIPEMZHWUGULZPH-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

7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
5-Chloro-8-phenoxyquinoline
CID 2767025
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
4-Chloro-6-methoxyquinoline
CID 228348
6-Methoxyquinolin-5-amine
CID 459671
8-[3-(2-Chlorophenoxy)propoxy]quinoline
CID 2283001
N-[(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
CID 25003427
N-[(4-chlorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methoxyquinolin-4-amine
CID 25003428
8-(2-Chloro-4-nitrophenoxy)quinoline
CID 4044761
6-Phenoxyquinolin-4-amine
CID 58460307

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methylphenoxy)quinolin-5-amine?
The IUPAC name of 6-(2-chloro-5-methylphenoxy)quinolin-5-amine (CID 43809883) is 6-(2-chloro-5-methylphenoxy)quinolin-5-amine.
What is the SMILES notation for 6-(2-chloro-5-methylphenoxy)quinolin-5-amine?
The canonical SMILES for 6-(2-chloro-5-methylphenoxy)quinolin-5-amine is Cc1ccc(Cl)c(Oc2ccc3ncccc3c2N)c1.
What is the InChIKey of 6-(2-chloro-5-methylphenoxy)quinolin-5-amine?
The InChIKey is IPEMZHWUGULZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-4-5-12(17)15(9-10)20-14-7-6-13-11(16(14)18)3-2-8-19-13/h2-9H,18H2,1H3.
What are the key properties of 6-(2-chloro-5-methylphenoxy)quinolin-5-amine?
6-(2-chloro-5-methylphenoxy)quinolin-5-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 6-(2-chloro-5-methylphenoxy)quinolin-5-amine is sourced from PubChem (CID 43809883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).