2-[(E)-2-phenylethenyl]quinolin-6-amine

C17H14N2 — CID 18506496

IUPAC2-[(E)-2-phenylethenyl]quinolin-6-amine
SMILESNc1ccc2nc(/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C17H14N2/c18-15-8-11-17-14(12-15)7-10-16(19-17)9-6-13-4-2-1-3-5-13/h1-12H,18H2/b9-6+
InChIKeyNHTGCAKFXBLYNI-RMKNXTFCSA-N
MW246.31 g/mol
LogP3.99
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]quinolin-6-amine

2-[(E)-2-phenylethenyl]quinolin-6-amine (PubChem CID 18506496) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]quinolin-6-amine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]quinolin-6-amine
PubChem CID18506496
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name2-[(E)-2-phenylethenyl]quinolin-6-amine
SMILESNc1ccc2nc(/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C17H14N2/c18-15-8-11-17-14(12-15)7-10-16(19-17)9-6-13-4-2-1-3-5-13/h1-12H,18H2/b9-6+
InChIKeyNHTGCAKFXBLYNI-RMKNXTFCSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.99
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 2-[(E)-2-phenylethenyl]quinolin-6-amine?
The IUPAC name of 2-[(E)-2-phenylethenyl]quinolin-6-amine (CID 18506496) is 2-[(E)-2-phenylethenyl]quinolin-6-amine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]quinolin-6-amine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]quinolin-6-amine is Nc1ccc2nc(/C=C/c3ccccc3)ccc2c1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]quinolin-6-amine?
The InChIKey is NHTGCAKFXBLYNI-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14N2/c18-15-8-11-17-14(12-15)7-10-16(19-17)9-6-13-4-2-1-3-5-13/h1-12H,18H2/b9-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]quinolin-6-amine?
2-[(E)-2-phenylethenyl]quinolin-6-amine has a molecular weight of 246.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]quinolin-6-amine is sourced from PubChem (CID 18506496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).