N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride

C25H24Cl2N2O2 — CID 2790769

IUPACN-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1.Cl
InChIInChI=1S/C25H23ClN2O2.ClH/c1-3-29-21-12-13-24-22(15-21)25(14-17(2)27-24)28-19-8-10-20(11-9-19)30-16-18-6-4-5-7-23(18)26;/h4-15H,3,16H2,1-2H3,(H,27,28);1H
InChIKeyRYQIVDYQXTUXMH-UHFFFAOYSA-N
MW455.39 g/mol
LogP7.34
Rot. Bonds7

About N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride

N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride (PubChem CID 2790769) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride
PubChem CID2790769
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc2nc(C)cc(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1.Cl
InChIInChI=1S/C25H23ClN2O2.ClH/c1-3-29-21-12-13-24-22(15-21)25(14-17(2)27-24)28-19-8-10-20(11-9-19)30-16-18-6-4-5-7-23(18)26;/h4-15H,3,16H2,1-2H3,(H,27,28);1H
InChIKeyRYQIVDYQXTUXMH-UHFFFAOYSA-N
XLogP7.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride (CID 2790769) is N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride is CCOc1ccc2nc(C)cc(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1.Cl.
What is the InChIKey of N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is RYQIVDYQXTUXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2.ClH/c1-3-29-21-12-13-24-22(15-21)25(14-17(2)27-24)28-19-8-10-20(11-9-19)30-16-18-6-4-5-7-23(18)26;/h4-15H,3,16H2,1-2H3,(H,27,28);1H.
What are the key properties of N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride?
N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 455.39 g/mol, XLogP of 7.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methoxy]phenyl]-6-ethoxy-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).