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

C19H20N2O — CID 798218

IUPACN-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C19H20N2O/c1-4-22-16-8-6-15(7-9-16)21-19-12-14(3)20-18-10-5-13(2)11-17(18)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyPBEQKEBQBBDWRC-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.99
Rot. Bonds4

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

N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine (PubChem CID 798218) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
PubChem CID798218
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
SMILESCCOc1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1
InChIInChI=1S/C19H20N2O/c1-4-22-16-8-6-15(7-9-16)21-19-12-14(3)20-18-10-5-13(2)11-17(18)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyPBEQKEBQBBDWRC-UHFFFAOYSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine (CID 798218) is N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine is CCOc1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine?
The InChIKey is PBEQKEBQBBDWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-4-22-16-8-6-15(7-9-16)21-19-12-14(3)20-18-10-5-13(2)11-17(18)19/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine?
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine has a molecular weight of 292.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine is sourced from PubChem (CID 798218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).