N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine

C18H18N2O — CID 698974

IUPACN-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C18H18N2O/c1-12-4-9-17-16(10-12)18(11-13(2)19-17)20-14-5-7-15(21-3)8-6-14/h4-11H,1-3H3,(H,19,20)
InChIKeyDBSZUKKHWWCDKR-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.60
Rot. Bonds3

About N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine

N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine (PubChem CID 698974) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine
PubChem CID698974
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C18H18N2O/c1-12-4-9-17-16(10-12)18(11-13(2)19-17)20-14-5-7-15(21-3)8-6-14/h4-11H,1-3H3,(H,19,20)
InChIKeyDBSZUKKHWWCDKR-UHFFFAOYSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine (CID 698974) is N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine is COc1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine?
The InChIKey is DBSZUKKHWWCDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-4-9-17-16(10-12)18(11-13(2)19-17)20-14-5-7-15(21-3)8-6-14/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine?
N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,6-dimethylquinolin-4-amine is sourced from PubChem (CID 698974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).