1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea

C33H33N3O3 — CID 17336877

IUPAC1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea
SMILESCOc1ccc(C(=O)N2c3ccc(C)cc3C(N(C(=O)Nc3ccccc3)c3ccc(C)cc3)CC2C)cc1
InChIInChI=1S/C33H33N3O3/c1-22-10-15-27(16-11-22)36(33(38)34-26-8-6-5-7-9-26)31-21-24(3)35(30-19-12-23(2)20-29(30)31)32(37)25-13-17-28(39-4)18-14-25/h5-20,24,31H,21H2,1-4H3,(H,34,38)
InChIKeyZZZGOCZRHDJJAD-UHFFFAOYSA-N
MW519.65 g/mol
LogP7.53
Rot. Bonds5

About 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea

1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea (PubChem CID 17336877) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea
PubChem CID17336877
Molecular FormulaC33H33N3O3
Molecular Weight519.65 g/mol
Exact Mass519.25
IUPAC Name1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea
SMILESCOc1ccc(C(=O)N2c3ccc(C)cc3C(N(C(=O)Nc3ccccc3)c3ccc(C)cc3)CC2C)cc1
InChIInChI=1S/C33H33N3O3/c1-22-10-15-27(16-11-22)36(33(38)34-26-8-6-5-7-9-26)31-21-24(3)35(30-19-12-23(2)20-29(30)31)32(37)25-13-17-28(39-4)18-14-25/h5-20,24,31H,21H2,1-4H3,(H,34,38)
InChIKeyZZZGOCZRHDJJAD-UHFFFAOYSA-N
XLogP7.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea with MolForge

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Related Compounds

N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 58859670
(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 23889651
N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859767
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-2-methylpropanoate
CID 68925668
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236
3-[4-[acetyl-[(4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanoic acid
CID 71029107
(E)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 40838810
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
N-[(2S,4S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylthiophene-2-carboxamide
CID 1108479
N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)acetamide
CID 21092894
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea?
The IUPAC name of 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea (CID 17336877) is 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea is COc1ccc(C(=O)N2c3ccc(C)cc3C(N(C(=O)Nc3ccccc3)c3ccc(C)cc3)CC2C)cc1.
What is the InChIKey of 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea?
The InChIKey is ZZZGOCZRHDJJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c1-22-10-15-27(16-11-22)36(33(38)34-26-8-6-5-7-9-26)31-21-24(3)35(30-19-12-23(2)20-29(30)31)32(37)25-13-17-28(39-4)18-14-25/h5-20,24,31H,21H2,1-4H3,(H,34,38).
What are the key properties of 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea?
1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea has a molecular weight of 519.65 g/mol, XLogP of 7.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea is sourced from PubChem (CID 17336877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).