(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide

C20H27N3O — CID 132651100

IUPAC(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide
SMILESCCN1c2cc(C)c(/C=C(/C#N)C(=O)NC)cc2C(C)CC1(C)C
InChIInChI=1S/C20H27N3O/c1-7-23-18-8-13(2)15(9-16(12-21)19(24)22-6)10-17(18)14(3)11-20(23,4)5/h8-10,14H,7,11H2,1-6H3,(H,22,24)/b16-9-
InChIKeyQHHKDADEYWVMEL-SXGWCWSVSA-N
MW325.46 g/mol
LogP3.76
Rot. Bonds3

About (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide

(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide (PubChem CID 132651100) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide
PubChem CID132651100
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide
SMILESCCN1c2cc(C)c(/C=C(/C#N)C(=O)NC)cc2C(C)CC1(C)C
InChIInChI=1S/C20H27N3O/c1-7-23-18-8-13(2)15(9-16(12-21)19(24)22-6)10-17(18)14(3)11-20(23,4)5/h8-10,14H,7,11H2,1-6H3,(H,22,24)/b16-9-
InChIKeyQHHKDADEYWVMEL-SXGWCWSVSA-N
XLogP3.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.76
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)-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-(2-ethylphenyl)-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132664902
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]prop-2-enamide
CID 124649410
(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50861789
(Z)-2-cyano-N-(4-ethylphenyl)-3-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132661574
(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)-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 50860428
(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132661573
(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)-3-(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 50861230
(Z)-N-(2-chlorophenyl)-2-cyano-3-[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]prop-2-enamide
CID 99886046
(E)-2-cyano-N-(2-ethylphenyl)-3-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50863658

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide (CID 132651100) is (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide is CCN1c2cc(C)c(/C=C(/C#N)C(=O)NC)cc2C(C)CC1(C)C.
What is the InChIKey of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide?
The InChIKey is QHHKDADEYWVMEL-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H27N3O/c1-7-23-18-8-13(2)15(9-16(12-21)19(24)22-6)10-17(18)14(3)11-20(23,4)5/h8-10,14H,7,11H2,1-6H3,(H,22,24)/b16-9-.
What are the key properties of (Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide?
(Z)-2-cyano-3-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide has a molecular weight of 325.46 g/mol, XLogP of 3.76, 3 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-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 132651100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).