N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine

C23H20N2 — CID 164677719

IUPACN-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine
SMILESCc1ccc(CNc2nc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2/c1-17-11-13-18(14-12-17)16-24-23-21(19-7-3-2-4-8-19)15-20-9-5-6-10-22(20)25-23/h2-15H,16H2,1H3,(H,24,25)
InChIKeyGAZNTNFZHPUIEZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP5.82
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine

N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine (PubChem CID 164677719) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine
PubChem CID164677719
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC NameN-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine
SMILESCc1ccc(CNc2nc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H20N2/c1-17-11-13-18(14-12-17)16-24-23-21(19-7-3-2-4-8-19)15-20-9-5-6-10-22(20)25-23/h2-15H,16H2,1H3,(H,24,25)
InChIKeyGAZNTNFZHPUIEZ-UHFFFAOYSA-N
XLogP5.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine (CID 164677719) is N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine is Cc1ccc(CNc2nc3ccccc3cc2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine?
The InChIKey is GAZNTNFZHPUIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-17-11-13-18(14-12-17)16-24-23-21(19-7-3-2-4-8-19)15-20-9-5-6-10-22(20)25-23/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine?
N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-phenylquinolin-2-amine is sourced from PubChem (CID 164677719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).