(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide

C23H22N2O — CID 51113098

IUPAC(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)NCC1CCCc2ccccc21
InChIInChI=1S/C23H22N2O/c26-22(14-13-19-9-4-8-18-11-5-15-24-23(18)19)25-16-20-10-3-7-17-6-1-2-12-21(17)20/h1-2,4-6,8-9,11-15,20H,3,7,10,16H2,(H,25,26)/b14-13+
InChIKeyGTJLONVLCIEGTK-BUHFOSPRSA-N
MW342.44 g/mol
LogP4.48
Rot. Bonds4

About (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide

(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide (PubChem CID 51113098) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide
PubChem CID51113098
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)NCC1CCCc2ccccc21
InChIInChI=1S/C23H22N2O/c26-22(14-13-19-9-4-8-18-11-5-15-24-23(18)19)25-16-20-10-3-7-17-6-1-2-12-21(17)20/h1-2,4-6,8-9,11-15,20H,3,7,10,16H2,(H,25,26)/b14-13+
InChIKeyGTJLONVLCIEGTK-BUHFOSPRSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide (CID 51113098) is (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide is O=C(/C=C/c1cccc2cccnc12)NCC1CCCc2ccccc21.
What is the InChIKey of (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide?
The InChIKey is GTJLONVLCIEGTK-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H22N2O/c26-22(14-13-19-9-4-8-18-11-5-15-24-23(18)19)25-16-20-10-3-7-17-6-1-2-12-21(17)20/h1-2,4-6,8-9,11-15,20H,3,7,10,16H2,(H,25,26)/b14-13+.
What are the key properties of (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide?
(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide is sourced from PubChem (CID 51113098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).