(E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide

C22H24N2O2 — CID 10308903

IUPAC(E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)17-9-4-15(5-10-17)6-12-20(25)23-18-11-7-16-8-13-21(26)24-19(16)14-18/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)(H,24,26)/b12-6+
InChIKeyGXCKOZLKUDPCKA-WUXMJOGZSA-N
MW348.45 g/mol
LogP4.52
Rot. Bonds3

About (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide (PubChem CID 10308903) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide
PubChem CID10308903
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)17-9-4-15(5-10-17)6-12-20(25)23-18-11-7-16-8-13-21(26)24-19(16)14-18/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)(H,24,26)/b12-6+
InChIKeyGXCKOZLKUDPCKA-WUXMJOGZSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
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-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide (CID 10308903) is (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)CC3)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide?
The InChIKey is GXCKOZLKUDPCKA-WUXMJOGZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2,3)17-9-4-15(5-10-17)6-12-20(25)23-18-11-7-16-8-13-21(26)24-19(16)14-18/h4-7,9-12,14H,8,13H2,1-3H3,(H,23,25)(H,24,26)/b12-6+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide has a molecular weight of 348.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)prop-2-enamide is sourced from PubChem (CID 10308903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).