N-(4-methoxyphenyl)quinolin-4-amine

C16H14N2O — CID 739629

IUPACN-(4-methoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
InChIKeyXEXJCSNBUIARJF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.99
Rot. Bonds3

About N-(4-methoxyphenyl)quinolin-4-amine

N-(4-methoxyphenyl)quinolin-4-amine (PubChem CID 739629) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)quinolin-4-amine
PubChem CID739629
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(4-methoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
InChIKeyXEXJCSNBUIARJF-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)quinolin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)quinolin-4-amine (CID 739629) is N-(4-methoxyphenyl)quinolin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)quinolin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)quinolin-4-amine is COc1ccc(Nc2ccnc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)quinolin-4-amine?
The InChIKey is XEXJCSNBUIARJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)quinolin-4-amine?
N-(4-methoxyphenyl)quinolin-4-amine has a molecular weight of 250.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 739629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).