1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine

C17H15ClN2O — CID 62297834

IUPAC1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-19-11-12-10-17(20-16-5-3-2-4-15(12)16)21-14-8-6-13(18)7-9-14/h2-10,19H,11H2,1H3
InChIKeyKAYWWXCERBRFMR-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.40
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine

1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine (PubChem CID 62297834) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
PubChem CID62297834
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
SMILESCNCc1cc(Oc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN2O/c1-19-11-12-10-17(20-16-5-3-2-4-15(12)16)21-14-8-6-13(18)7-9-14/h2-10,19H,11H2,1H3
InChIKeyKAYWWXCERBRFMR-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine (CID 62297834) is 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine is CNCc1cc(Oc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
The InChIKey is KAYWWXCERBRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-19-11-12-10-17(20-16-5-3-2-4-15(12)16)21-14-8-6-13(18)7-9-14/h2-10,19H,11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine?
1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine has a molecular weight of 298.77 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62297834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).