N-(4-methoxyphenyl)-3-phenylquinolin-4-amine

C22H18N2O — CID 70695069

IUPACN-(4-methoxyphenyl)-3-phenylquinolin-4-amine
SMILESCOc1ccc(Nc2c(-c3ccccc3)cnc3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-25-18-13-11-17(12-14-18)24-22-19-9-5-6-10-21(19)23-15-20(22)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyZRRVPGYSELXTKI-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.65
Rot. Bonds4

About N-(4-methoxyphenyl)-3-phenylquinolin-4-amine

N-(4-methoxyphenyl)-3-phenylquinolin-4-amine (PubChem CID 70695069) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-phenylquinolin-4-amine
PubChem CID70695069
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC NameN-(4-methoxyphenyl)-3-phenylquinolin-4-amine
SMILESCOc1ccc(Nc2c(-c3ccccc3)cnc3ccccc23)cc1
InChIInChI=1S/C22H18N2O/c1-25-18-13-11-17(12-14-18)24-22-19-9-5-6-10-21(19)23-15-20(22)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyZRRVPGYSELXTKI-UHFFFAOYSA-N
XLogP5.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-phenylquinolin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-3-phenylquinolin-4-amine (CID 70695069) is N-(4-methoxyphenyl)-3-phenylquinolin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-phenylquinolin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-3-phenylquinolin-4-amine is COc1ccc(Nc2c(-c3ccccc3)cnc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-phenylquinolin-4-amine?
The InChIKey is ZRRVPGYSELXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-18-13-11-17(12-14-18)24-22-19-9-5-6-10-21(19)23-15-20(22)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)-3-phenylquinolin-4-amine?
N-(4-methoxyphenyl)-3-phenylquinolin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-phenylquinolin-4-amine is sourced from PubChem (CID 70695069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).