(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide

C25H27N3O — CID 99888309

IUPAC(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide
SMILESCCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H27N3O/c1-6-28-23-12-17(2)19(14-22(23)18(3)15-25(28,4)5)13-20(16-26)24(29)27-21-10-8-7-9-11-21/h7-15H,6H2,1-5H3,(H,27,29)/b20-13-
InChIKeyZNIHUCXQCQEONF-MOSHPQCFSA-N
MW385.51 g/mol
LogP5.56
Rot. Bonds4

About (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide

(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide (PubChem CID 99888309) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide
PubChem CID99888309
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide
SMILESCCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C25H27N3O/c1-6-28-23-12-17(2)19(14-22(23)18(3)15-25(28,4)5)13-20(16-26)24(29)27-21-10-8-7-9-11-21/h7-15H,6H2,1-5H3,(H,27,29)/b20-13-
InChIKeyZNIHUCXQCQEONF-MOSHPQCFSA-N
XLogP5.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.56
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

(E)-N-(3-bromophenyl)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)prop-2-enamide
CID 50866533
(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-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylprop-2-enamide
CID 50869443
(E)-3-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 50867252
(E)-3-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
CID 50867267
(E)-N-(2-chlorophenyl)-2-cyano-3-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)prop-2-enamide
CID 50868030
(E)-N-benzyl-2-cyano-3-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)prop-2-enamide
CID 50867714
(Z)-2-cyano-3-(1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)prop-2-enamide
CID 99888163
(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
(Z)-2-cyano-N-methyl-3-(1,2,2,4,7-pentamethylquinolin-6-yl)prop-2-enamide
CID 99887437
(E)-2-cyano-N-methyl-3-(1,2,2,4,7-pentamethylquinolin-6-yl)prop-2-enamide
CID 50864502

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide (CID 99888309) is (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide is CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc2C(C)=CC1(C)C.
What is the InChIKey of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide?
The InChIKey is ZNIHUCXQCQEONF-MOSHPQCFSA-N. The full InChI is InChI=1S/C25H27N3O/c1-6-28-23-12-17(2)19(14-22(23)18(3)15-25(28,4)5)13-20(16-26)24(29)27-21-10-8-7-9-11-21/h7-15H,6H2,1-5H3,(H,27,29)/b20-13-.
What are the key properties of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide?
(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide has a molecular weight of 385.51 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 99888309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).