2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C28H27N3O5 — CID 53000739

IUPAC2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C(C)C)cc3)c2cc1OC
InChIInChI=1S/C28H27N3O5/c1-17(2)18-5-7-20(8-6-18)30-26(32)16-31-15-22(27(33)19-9-11-29-12-10-19)28(34)21-13-24(35-3)25(36-4)14-23(21)31/h5-15,17H,16H2,1-4H3,(H,30,32)
InChIKeyPPHLRJFXZFDGQD-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.41
Rot. Bonds8

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

2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53000739) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID53000739
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C(C)C)cc3)c2cc1OC
InChIInChI=1S/C28H27N3O5/c1-17(2)18-5-7-20(8-6-18)30-26(32)16-31-15-22(27(33)19-9-11-29-12-10-19)28(34)21-13-24(35-3)25(36-4)14-23(21)31/h5-15,17H,16H2,1-4H3,(H,30,32)
InChIKeyPPHLRJFXZFDGQD-UHFFFAOYSA-N
XLogP4.41
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6,7-dimethoxy-3-(4-methoxybenzoyl)-4-oxoquinolin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 20868848
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
N-benzyl-2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000732
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
2-(3-benzoyl-6-methyl-4-oxoquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18560086
2-[6,7-dimethyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000696
N-(1,3-benzodioxol-5-yl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2136501
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000945

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 53000739) is 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is COc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3ccc(C(C)C)cc3)c2cc1OC.
What is the InChIKey of 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is PPHLRJFXZFDGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-17(2)18-5-7-20(8-6-18)30-26(32)16-31-15-22(27(33)19-9-11-29-12-10-19)28(34)21-13-24(35-3)25(36-4)14-23(21)31/h5-15,17H,16H2,1-4H3,(H,30,32).
What are the key properties of 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 485.54 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53000739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).