N-phenyl-3-(phenyliminomethyl)quinolin-2-amine

C22H17N3 — CID 146000832

IUPACN-phenyl-3-(phenyliminomethyl)quinolin-2-amine
SMILESC(=N/c1ccccc1)\c1cc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C22H17N3/c1-3-10-19(11-4-1)23-16-18-15-17-9-7-8-14-21(17)25-22(18)24-20-12-5-2-6-13-20/h1-16H,(H,24,25)/b23-16+
InChIKeyOOWBQUIGHHZGKW-XQNSMLJCSA-N
MW323.40 g/mol
LogP5.73
Rot. Bonds4

About N-phenyl-3-(phenyliminomethyl)quinolin-2-amine

N-phenyl-3-(phenyliminomethyl)quinolin-2-amine (PubChem CID 146000832) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-phenyl-3-(phenyliminomethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-phenyl-3-(phenyliminomethyl)quinolin-2-amine
PubChem CID146000832
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC NameN-phenyl-3-(phenyliminomethyl)quinolin-2-amine
SMILESC(=N/c1ccccc1)\c1cc2ccccc2nc1Nc1ccccc1
InChIInChI=1S/C22H17N3/c1-3-10-19(11-4-1)23-16-18-15-17-9-7-8-14-21(17)25-22(18)24-20-12-5-2-6-13-20/h1-16H,(H,24,25)/b23-16+
InChIKeyOOWBQUIGHHZGKW-XQNSMLJCSA-N
XLogP5.73
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(phenyliminomethyl)quinolin-2-amine?
The IUPAC name of N-phenyl-3-(phenyliminomethyl)quinolin-2-amine (CID 146000832) is N-phenyl-3-(phenyliminomethyl)quinolin-2-amine.
What is the SMILES notation for N-phenyl-3-(phenyliminomethyl)quinolin-2-amine?
The canonical SMILES for N-phenyl-3-(phenyliminomethyl)quinolin-2-amine is C(=N/c1ccccc1)\c1cc2ccccc2nc1Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(phenyliminomethyl)quinolin-2-amine?
The InChIKey is OOWBQUIGHHZGKW-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H17N3/c1-3-10-19(11-4-1)23-16-18-15-17-9-7-8-14-21(17)25-22(18)24-20-12-5-2-6-13-20/h1-16H,(H,24,25)/b23-16+.
What are the key properties of N-phenyl-3-(phenyliminomethyl)quinolin-2-amine?
N-phenyl-3-(phenyliminomethyl)quinolin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(phenyliminomethyl)quinolin-2-amine is sourced from PubChem (CID 146000832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).