N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide

C28H30N2O3 — CID 58859670

IUPACN-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C(=O)N2c3cc(C)ccc3[C@H](N(C(C)=O)c3ccc(C)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C28H30N2O3/c1-18-6-11-23(12-7-18)30(21(4)31)27-17-20(3)29(26-16-19(2)8-15-25(26)27)28(32)22-9-13-24(33-5)14-10-22/h6-16,20,27H,17H2,1-5H3/t20-,27+/m0/s1
InChIKeyJKPFNFLUOHMJEP-CCLHPLFOSA-N
MW442.56 g/mol
LogP5.85
Rot. Bonds4

About N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide

N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide (PubChem CID 58859670) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
PubChem CID58859670
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC NameN-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C(=O)N2c3cc(C)ccc3[C@H](N(C(C)=O)c3ccc(C)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C28H30N2O3/c1-18-6-11-23(12-7-18)30(21(4)31)27-17-20(3)29(26-16-19(2)8-15-25(26)27)28(32)22-9-13-24(33-5)14-10-22/h6-16,20,27H,17H2,1-5H3/t20-,27+/m0/s1
InChIKeyJKPFNFLUOHMJEP-CCLHPLFOSA-N
XLogP5.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 58859767
1-[1-(4-methoxybenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-1-(4-methylphenyl)-3-phenylurea
CID 17336877
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-2-methylpropanoate
CID 68925668
N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)acetamide
CID 21092894
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
3-[4-[acetyl-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-N,N-dimethylpropanamide
CID 58859661
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 58859658
N-[7-(diethylamino)-1-[4-(dimethylamino)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(diethylamino)phenyl]acetamide
CID 58859797
N-[(2R,4S)-6-chloro-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-chlorophenyl)acetamide
CID 21093186

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide (CID 58859670) is N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide is COc1ccc(C(=O)N2c3cc(C)ccc3[C@H](N(C(C)=O)c3ccc(C)cc3)C[C@@H]2C)cc1.
What is the InChIKey of N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is JKPFNFLUOHMJEP-CCLHPLFOSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-18-6-11-23(12-7-18)30(21(4)31)27-17-20(3)29(26-16-19(2)8-15-25(26)27)28(32)22-9-13-24(33-5)14-10-22/h6-16,20,27H,17H2,1-5H3/t20-,27+/m0/s1.
What are the key properties of N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide?
N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-1-(4-methoxybenzoyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 58859670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).