(E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide

C24H25N3O — CID 50864394

IUPAC(E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc21
InChIInChI=1S/C24H25N3O/c1-16-8-6-7-9-21(16)26-23(28)19(15-25)12-18-10-11-22-20(13-18)17(2)14-24(3,4)27(22)5/h6-14H,1-5H3,(H,26,28)/b19-12+
InChIKeyWYGDZAQKXNGSQG-XDHOZWIPSA-N
MW371.48 g/mol
LogP5.17
Rot. Bonds3

About (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide

(E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide (PubChem CID 50864394) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
PubChem CID50864394
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
SMILESCC1=CC(C)(C)N(C)c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc21
InChIInChI=1S/C24H25N3O/c1-16-8-6-7-9-21(16)26-23(28)19(15-25)12-18-10-11-22-20(13-18)17(2)14-24(3,4)27(22)5/h6-14H,1-5H3,(H,26,28)/b19-12+
InChIKeyWYGDZAQKXNGSQG-XDHOZWIPSA-N
XLogP5.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)prop-2-enamide
CID 99888163
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
CID 99887365
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
CID 50864403
(E)-2-cyano-N-(2-ethylphenyl)-3-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
CID 50865924
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
CID 50865313
(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(2,2,4-trimethyl-1-propylquinolin-6-yl)prop-2-enamide
CID 50868103
4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2-nitrophenolate
CID 7333267
(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide
CID 50865916
(E)-N-(4-bromophenyl)-2-cyano-3-(1-ethyl-2,2,4-trimethylquinolin-6-yl)prop-2-enamide
CID 50866063
(Z)-2-cyano-3-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 99888043
(E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)prop-2-enamide
CID 50866557
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylphenyl)prop-2-enamide
CID 6286554

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide (CID 50864394) is (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide is CC1=CC(C)(C)N(C)c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc21.
What is the InChIKey of (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide?
The InChIKey is WYGDZAQKXNGSQG-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H25N3O/c1-16-8-6-7-9-21(16)26-23(28)19(15-25)12-18-10-11-22-20(13-18)17(2)14-24(3,4)27(22)5/h6-14H,1-5H3,(H,26,28)/b19-12+.
What are the key properties of (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide?
(E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide has a molecular weight of 371.48 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-methylphenyl)-3-(1,2,2,4-tetramethylquinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 50864394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).