6-(2-chlorophenoxy)-N-ethylquinolin-4-amine

C17H15ClN2O — CID 63487129

IUPAC6-(2-chlorophenoxy)-N-ethylquinolin-4-amine
SMILESCCNc1ccnc2ccc(Oc3ccccc3Cl)cc12
InChIInChI=1S/C17H15ClN2O/c1-2-19-16-9-10-20-15-8-7-12(11-13(15)16)21-17-6-4-3-5-14(17)18/h3-11H,2H2,1H3,(H,19,20)
InChIKeyVDMPHJZKDFUJCH-UHFFFAOYSA-N
MW298.77 g/mol
LogP5.11
Rot. Bonds4

About 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine

6-(2-chlorophenoxy)-N-ethylquinolin-4-amine (PubChem CID 63487129) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenoxy)-N-ethylquinolin-4-amine
PubChem CID63487129
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name6-(2-chlorophenoxy)-N-ethylquinolin-4-amine
SMILESCCNc1ccnc2ccc(Oc3ccccc3Cl)cc12
InChIInChI=1S/C17H15ClN2O/c1-2-19-16-9-10-20-15-8-7-12(11-13(15)16)21-17-6-4-3-5-14(17)18/h3-11H,2H2,1H3,(H,19,20)
InChIKeyVDMPHJZKDFUJCH-UHFFFAOYSA-N
XLogP5.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.77
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-phenoxyquinolin-4-amine
CID 63485387
6-phenoxy-N-propylquinolin-4-amine
CID 63485386
6-(2-chlorophenoxy)quinoline-4-carboxylic acid
CID 102941682
N-ethylquinolin-4-amine
CID 15306588
[6-(2-chlorophenoxy)-2-methylquinolin-4-yl]hydrazine
CID 63483697
5-(2-chlorophenoxy)-N-ethyl-2-nitroaniline
CID 70464869
4-chloro-6-phenoxyquinoline
CID 43531961
8-chloro-N-ethylquinolin-4-amine
CID 62190462
N-ethyl-6-piperidin-1-ylquinolin-4-amine
CID 63180896
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
CID 70112929
N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295902
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine?
The IUPAC name of 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine (CID 63487129) is 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine.
What is the SMILES notation for 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine?
The canonical SMILES for 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine is CCNc1ccnc2ccc(Oc3ccccc3Cl)cc12.
What is the InChIKey of 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine?
The InChIKey is VDMPHJZKDFUJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-2-19-16-9-10-20-15-8-7-12(11-13(15)16)21-17-6-4-3-5-14(17)18/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine?
6-(2-chlorophenoxy)-N-ethylquinolin-4-amine has a molecular weight of 298.77 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenoxy)-N-ethylquinolin-4-amine is sourced from PubChem (CID 63487129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).