N-(3-methoxyphenyl)-4-methylquinolin-2-amine

C17H16N2O — CID 910456

IUPACN-(3-methoxyphenyl)-4-methylquinolin-2-amine
SMILESCOc1cccc(Nc2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C17H16N2O/c1-12-10-17(19-16-9-4-3-8-15(12)16)18-13-6-5-7-14(11-13)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeySWHMCCZQEXIIAF-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.30
Rot. Bonds3

About N-(3-methoxyphenyl)-4-methylquinolin-2-amine

N-(3-methoxyphenyl)-4-methylquinolin-2-amine (PubChem CID 910456) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methylquinolin-2-amine
PubChem CID910456
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(3-methoxyphenyl)-4-methylquinolin-2-amine
SMILESCOc1cccc(Nc2cc(C)c3ccccc3n2)c1
InChIInChI=1S/C17H16N2O/c1-12-10-17(19-16-9-4-3-8-15(12)16)18-13-6-5-7-14(11-13)20-2/h3-11H,1-2H3,(H,18,19)
InChIKeySWHMCCZQEXIIAF-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methylquinolin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-methylquinolin-2-amine (CID 910456) is N-(3-methoxyphenyl)-4-methylquinolin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methylquinolin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-methylquinolin-2-amine is COc1cccc(Nc2cc(C)c3ccccc3n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methylquinolin-2-amine?
The InChIKey is SWHMCCZQEXIIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-10-17(19-16-9-4-3-8-15(12)16)18-13-6-5-7-14(11-13)20-2/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-4-methylquinolin-2-amine?
N-(3-methoxyphenyl)-4-methylquinolin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methylquinolin-2-amine is sourced from PubChem (CID 910456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).