2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

C28H26N2O3 — CID 18560086

IUPAC2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C28H26N2O3/c1-18(2)20-10-12-22(13-11-20)29-26(31)17-30-16-24(27(32)21-7-5-4-6-8-21)28(33)23-15-19(3)9-14-25(23)30/h4-16,18H,17H2,1-3H3,(H,29,31)
InChIKeyKSKNNWZELBRDKD-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.30
Rot. Bonds6

About 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 18560086) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID18560086
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C28H26N2O3/c1-18(2)20-10-12-22(13-11-20)29-26(31)17-30-16-24(27(32)21-7-5-4-6-8-21)28(33)23-15-19(3)9-14-25(23)30/h4-16,18H,17H2,1-3H3,(H,29,31)
InChIKeyKSKNNWZELBRDKD-UHFFFAOYSA-N
XLogP5.30
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
N-(1,3-benzodioxol-5-yl)-2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)acetamide
CID 18560084
2-[3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 16825310
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825382
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368
2-(3-benzoyl-6-chloro-4-oxoquinolin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 18560102
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
N-(3-chloro-4-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000663
2-[6-chloro-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 18560402
2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53000739

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 18560086) is 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KSKNNWZELBRDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-18(2)20-10-12-22(13-11-20)29-26(31)17-30-16-24(27(32)21-7-5-4-6-8-21)28(33)23-15-19(3)9-14-25(23)30/h4-16,18H,17H2,1-3H3,(H,29,31).
What are the key properties of 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 438.53 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 18560086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).