(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol

C36H38N2O4 — CID 44656141

IUPAC(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol
SMILESCC(C)O.COc1ccc(C(=O)N2c3ccccc3C(N(C(=O)/C=C/c3ccccc3)c3ccccc3)CC2C)cc1
InChIInChI=1S/C33H30N2O3.C3H8O/c1-24-23-31(35(27-13-7-4-8-14-27)32(36)22-17-25-11-5-3-6-12-25)29-15-9-10-16-30(29)34(24)33(37)26-18-20-28(38-2)21-19-26;1-3(2)4/h3-22,24,31H,23H2,1-2H3;3-4H,1-2H3/b22-17+;
InChIKeyHSCNCIJEKXYQFR-GDHRODDYSA-N
MW562.71 g/mol
LogP7.31
Rot. Bonds6

About (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol

(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol (PubChem CID 44656141) has the molecular formula C36H38N2O4 and a molecular weight of 562.71 g/mol. Its IUPAC name is (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol.

Molecular Properties

Compound Name(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol
PubChem CID44656141
Molecular FormulaC36H38N2O4
Molecular Weight562.71 g/mol
Exact Mass562.28
IUPAC Name(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol
SMILESCC(C)O.COc1ccc(C(=O)N2c3ccccc3C(N(C(=O)/C=C/c3ccccc3)c3ccccc3)CC2C)cc1
InChIInChI=1S/C33H30N2O3.C3H8O/c1-24-23-31(35(27-13-7-4-8-14-27)32(36)22-17-25-11-5-3-6-12-25)29-15-9-10-16-30(29)34(24)33(37)26-18-20-28(38-2)21-19-26;1-3(2)4/h3-22,24,31H,23H2,1-2H3;3-4H,1-2H3/b22-17+;
InChIKeyHSCNCIJEKXYQFR-GDHRODDYSA-N
XLogP7.31
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 40838810
(Z)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-methoxyphenyl)-N-phenylprop-2-enamide
CID 92914052
(E)-N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 7592871
(E)-N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 40911288
N-[1-[3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 3108035
(E)-4-(N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)anilino)-4-oxobut-2-enoic acid
CID 46879132
N-[(2S,4S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylthiophene-2-carboxamide
CID 1108479
(E)-N-[(2R,4R)-2-methyl-1-(4-propylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(4-nitrophenyl)-N-phenylprop-2-enamide
CID 92853055
N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859767
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
3-[4-[acetyl-[(4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanoic acid
CID 71029107
N-cyclopropyl-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 68923656

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol?
The IUPAC name of (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol (CID 44656141) is (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol.
What is the SMILES notation for (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol?
The canonical SMILES for (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol is CC(C)O.COc1ccc(C(=O)N2c3ccccc3C(N(C(=O)/C=C/c3ccccc3)c3ccccc3)CC2C)cc1.
What is the InChIKey of (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol?
The InChIKey is HSCNCIJEKXYQFR-GDHRODDYSA-N. The full InChI is InChI=1S/C33H30N2O3.C3H8O/c1-24-23-31(35(27-13-7-4-8-14-27)32(36)22-17-25-11-5-3-6-12-25)29-15-9-10-16-30(29)34(24)33(37)26-18-20-28(38-2)21-19-26;1-3(2)4/h3-22,24,31H,23H2,1-2H3;3-4H,1-2H3/b22-17+;.
What are the key properties of (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol?
(E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol has a molecular weight of 562.71 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide;propan-2-ol is sourced from PubChem (CID 44656141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).