2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline

C17H15N3 — CID 138656323

IUPAC2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline
SMILES[H]/N=C/c1ccc(-c2ccc3cccnc3c2)cc1NC
InChIInChI=1S/C17H15N3/c1-19-16-9-13(6-7-15(16)11-18)14-5-4-12-3-2-8-20-17(12)10-14/h2-11,18-19H,1H3/b18-11+
InChIKeyFLDYLYRJLUFJJY-WOJGMQOQSA-N
MW261.33 g/mol
LogP3.94
Rot. Bonds3

About 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline

2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline (PubChem CID 138656323) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline.

Molecular Properties

Compound Name2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline
PubChem CID138656323
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline
SMILES[H]/N=C/c1ccc(-c2ccc3cccnc3c2)cc1NC
InChIInChI=1S/C17H15N3/c1-19-16-9-13(6-7-15(16)11-18)14-5-4-12-3-2-8-20-17(12)10-14/h2-11,18-19H,1H3/b18-11+
InChIKeyFLDYLYRJLUFJJY-WOJGMQOQSA-N
XLogP3.94
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
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 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline?
The IUPAC name of 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline (CID 138656323) is 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline.
What is the SMILES notation for 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline?
The canonical SMILES for 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline is [H]/N=C/c1ccc(-c2ccc3cccnc3c2)cc1NC.
What is the InChIKey of 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline?
The InChIKey is FLDYLYRJLUFJJY-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15N3/c1-19-16-9-13(6-7-15(16)11-18)14-5-4-12-3-2-8-20-17(12)10-14/h2-11,18-19H,1H3/b18-11+.
What are the key properties of 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline?
2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline has a molecular weight of 261.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-methyl-5-quinolin-7-ylaniline is sourced from PubChem (CID 138656323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).