N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine

C18H17ClN2O — CID 713377

IUPACN-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(Nc3ccc(C)c(Cl)c3)cc(C)nc12
InChIInChI=1S/C18H17ClN2O/c1-11-7-8-13(10-15(11)19)21-16-9-12(2)20-18-14(16)5-4-6-17(18)22-3/h4-10H,1-3H3,(H,20,21)
InChIKeyZBAUYWIEJMOKKG-UHFFFAOYSA-N
MW312.80 g/mol
LogP5.26
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine

N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine (PubChem CID 713377) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine
PubChem CID713377
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine
SMILESCOc1cccc2c(Nc3ccc(C)c(Cl)c3)cc(C)nc12
InChIInChI=1S/C18H17ClN2O/c1-11-7-8-13(10-15(11)19)21-16-9-12(2)20-18-14(16)5-4-6-17(18)22-3/h4-10H,1-3H3,(H,20,21)
InChIKeyZBAUYWIEJMOKKG-UHFFFAOYSA-N
XLogP5.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.80
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine (CID 713377) is N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine is COc1cccc2c(Nc3ccc(C)c(Cl)c3)cc(C)nc12.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine?
The InChIKey is ZBAUYWIEJMOKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-11-7-8-13(10-15(11)19)21-16-9-12(2)20-18-14(16)5-4-6-17(18)22-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine?
N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine has a molecular weight of 312.80 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 713377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).