N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

C26H23N3O4 — CID 53000661

IUPACN-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C26H23N3O4/c1-3-33-20-7-5-19(6-8-20)28-24(30)16-29-15-22(25(31)18-10-12-27-13-11-18)26(32)21-14-17(2)4-9-23(21)29/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyGBSCTURGIUZMQU-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.97
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (PubChem CID 53000661) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
PubChem CID53000661
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C26H23N3O4/c1-3-33-20-7-5-19(6-8-20)28-24(30)16-29-15-22(25(31)18-10-12-27-13-11-18)26(32)21-14-17(2)4-9-23(21)29/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyGBSCTURGIUZMQU-UHFFFAOYSA-N
XLogP3.97
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53000893
N-(4-chlorophenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000650
2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 53000630
2-(3-benzoyl-6-ethoxy-4-oxoquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 16825294
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(3-chloro-4-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000663
N-(4-ethoxyphenyl)-2-[7-(4-methylbenzoyl)-8-oxo-[1,3]dioxolo[4,5-g]quinolin-5-yl]acetamide
CID 2135022
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000648
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395
N-(2-fluoro-5-methylphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 52998478
N-(4-chlorophenyl)-2-[3-(4-ethoxybenzoyl)-6-fluoro-4-oxoquinolin-1-yl]acetamide
CID 2135589

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (CID 53000661) is N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3cc(C)ccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is GBSCTURGIUZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-3-33-20-7-5-19(6-8-20)28-24(30)16-29-15-22(25(31)18-10-12-27-13-11-18)26(32)21-14-17(2)4-9-23(21)29/h4-15H,3,16H2,1-2H3,(H,28,30).
What are the key properties of N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 53000661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).