(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

C26H31N3O — CID 132661573

IUPAC(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
SMILESCCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C26H31N3O/c1-7-29-24-9-8-20(14-23(24)19(4)15-26(29,5)6)13-21(16-27)25(30)28-22-11-17(2)10-18(3)12-22/h8-14,19H,7,15H2,1-6H3,(H,28,30)/b21-13-
InChIKeyADHKKEABCAWQAC-BKUYFWCQSA-N
MW401.55 g/mol
LogP5.96
Rot. Bonds4

About (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide (PubChem CID 132661573) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
PubChem CID132661573
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
SMILESCCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C26H31N3O/c1-7-29-24-9-8-20(14-23(24)19(4)15-26(29,5)6)13-21(16-27)25(30)28-22-11-17(2)10-18(3)12-22/h8-14,19H,7,15H2,1-6H3,(H,28,30)/b21-13-
InChIKeyADHKKEABCAWQAC-BKUYFWCQSA-N
XLogP5.96
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.96
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'}

Analyze (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132661568
(E)-2-cyano-N-(3,4-dimethylphenyl)-3-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50862428
(Z)-2-cyano-N-(3-methylphenyl)-3-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132661563
(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50858782
(Z)-N-(4-chlorophenyl)-2-cyano-3-[(4R)-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]prop-2-enamide
CID 125043225
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]prop-2-enamide
CID 99885331
(Z)-N-(2-chlorophenyl)-2-cyano-3-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132659863
(E)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-methylphenyl)prop-2-enamide
CID 50860859
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132675523
(E)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-2-phenylprop-2-enenitrile
CID 50860330
(Z)-2-cyano-N-(2,4-dichlorophenyl)-3-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]prop-2-enamide
CID 99885305
(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide
CID 132651100

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide (CID 132661573) is (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide is CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2C(C)CC1(C)C.
What is the InChIKey of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?
The InChIKey is ADHKKEABCAWQAC-BKUYFWCQSA-N. The full InChI is InChI=1S/C26H31N3O/c1-7-29-24-9-8-20(14-23(24)19(4)15-26(29,5)6)13-21(16-27)25(30)28-22-11-17(2)10-18(3)12-22/h8-14,19H,7,15H2,1-6H3,(H,28,30)/b21-13-.
What are the key properties of (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide?
(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide has a molecular weight of 401.55 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide is sourced from PubChem (CID 132661573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).