N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

C21H22N2O3 — CID 39849579

IUPACN-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)c(=O)cc(C)n3CC)cc1
InChIInChI=1S/C21H22N2O3/c1-4-23-14(3)12-20(24)18-13-15(6-11-19(18)23)21(25)22-16-7-9-17(10-8-16)26-5-2/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyCGFSOMNUUJKAIW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.98
Rot. Bonds5

About N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (PubChem CID 39849579) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
PubChem CID39849579
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc3c(c2)c(=O)cc(C)n3CC)cc1
InChIInChI=1S/C21H22N2O3/c1-4-23-14(3)12-20(24)18-13-15(6-11-19(18)23)21(25)22-16-7-9-17(10-8-16)26-5-2/h6-13H,4-5H2,1-3H3,(H,22,25)
InChIKeyCGFSOMNUUJKAIW-UHFFFAOYSA-N
XLogP3.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42537474
N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42534786
1-ethyl-2-methyl-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-6-carboxamide
CID 27260849
N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849384
N-(4-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766573
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
N-(4-ethoxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610716
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (CID 39849579) is N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is CCOc1ccc(NC(=O)c2ccc3c(c2)c(=O)cc(C)n3CC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The InChIKey is CGFSOMNUUJKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-23-14(3)12-20(24)18-13-15(6-11-19(18)23)21(25)22-16-7-9-17(10-8-16)26-5-2/h6-13H,4-5H2,1-3H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is sourced from PubChem (CID 39849579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).