N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

C26H23N3O4 — CID 53000775

IUPACN-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C26H23N3O4/c1-3-17-4-6-19(7-5-17)28-24(30)16-29-15-22(25(31)18-10-12-27-13-11-18)26(32)21-9-8-20(33-2)14-23(21)29/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyTXEHNJOAPFBADN-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.84
Rot. Bonds7

About N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (PubChem CID 53000775) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
PubChem CID53000775
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C26H23N3O4/c1-3-17-4-6-19(7-5-17)28-24(30)16-29-15-22(25(31)18-10-12-27-13-11-18)26(32)21-9-8-20(33-2)14-23(21)29/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyTXEHNJOAPFBADN-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000787
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 53000765
2-[6-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53000689
2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53000804
2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2136553
N-(4-chlorophenyl)-2-[3-(4-ethylbenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 2141192
2-[6,7-dimethoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 53000739
N-(4-ethoxyphenyl)-2-[6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000661
N-(3,4-dimethoxyphenyl)-2-[6-ethyl-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825384
2-[6-bromo-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53000893
2-[6-ethoxy-3-(4-ethylbenzoyl)-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16825329
N-(3-chloro-4-methylphenyl)-2-[7-fluoro-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
CID 53000858

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (CID 53000775) is N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccncc3)c(=O)c3ccc(OC)cc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is TXEHNJOAPFBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-3-17-4-6-19(7-5-17)28-24(30)16-29-15-22(25(31)18-10-12-27-13-11-18)26(32)21-9-8-20(33-2)14-23(21)29/h4-15H,3,16H2,1-2H3,(H,28,30).
What are the key properties of N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[7-methoxy-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 53000775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).