4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline

C18H16N2 — CID 53315529

IUPAC4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline
SMILESCc1cnc2ccccc2c1/C=C/c1ccc(N)cc1
InChIInChI=1S/C18H16N2/c1-13-12-20-18-5-3-2-4-17(18)16(13)11-8-14-6-9-15(19)10-7-14/h2-12H,19H2,1H3/b11-8+
InChIKeyDUIFDZZDHBRLCB-DHZHZOJOSA-N
MW260.34 g/mol
LogP4.30
Rot. Bonds2

About 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline

4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline (PubChem CID 53315529) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline
PubChem CID53315529
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline
SMILESCc1cnc2ccccc2c1/C=C/c1ccc(N)cc1
InChIInChI=1S/C18H16N2/c1-13-12-20-18-5-3-2-4-17(18)16(13)11-8-14-6-9-15(19)10-7-14/h2-12H,19H2,1H3/b11-8+
InChIKeyDUIFDZZDHBRLCB-DHZHZOJOSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline?
The IUPAC name of 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline (CID 53315529) is 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline is Cc1cnc2ccccc2c1/C=C/c1ccc(N)cc1.
What is the InChIKey of 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline?
The InChIKey is DUIFDZZDHBRLCB-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16N2/c1-13-12-20-18-5-3-2-4-17(18)16(13)11-8-14-6-9-15(19)10-7-14/h2-12H,19H2,1H3/b11-8+.
What are the key properties of 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline?
4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline has a molecular weight of 260.34 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-methylquinolin-4-yl)ethenyl]aniline is sourced from PubChem (CID 53315529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).