2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide

C26H23N3O3 — CID 53000696

IUPAC2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)c1
InChIInChI=1S/C26H23N3O3/c1-16-5-4-6-20(11-16)28-24(30)15-29-14-22(25(31)19-7-9-27-10-8-19)26(32)21-12-17(2)18(3)13-23(21)29/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyRNDYXPXPVZOMMQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.19
Rot. Bonds5

About 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide

2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53000696) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID53000696
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)c1
InChIInChI=1S/C26H23N3O3/c1-16-5-4-6-20(11-16)28-24(30)15-29-14-22(25(31)19-7-9-27-10-8-19)26(32)21-12-17(2)18(3)13-23(21)29/h4-14H,15H2,1-3H3,(H,28,30)
InChIKeyRNDYXPXPVZOMMQ-UHFFFAOYSA-N
XLogP4.19
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000765
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide
CID 53000940
N-(3-chloro-4-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000663
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
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
N-(3-chloro-2-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000664
N-(3-fluorophenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000787
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000648
N-(2-fluoro-5-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 52998478
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-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide (CID 53000696) is 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)c(C)cc32)c1.
What is the InChIKey of 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is RNDYXPXPVZOMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-16-5-4-6-20(11-16)28-24(30)15-29-14-22(25(31)19-7-9-27-10-8-19)26(32)21-12-17(2)18(3)13-23(21)29/h4-14H,15H2,1-3H3,(H,28,30).
What are the key properties of 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide?
2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53000696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).