N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

C21H22N2O4 — CID 42534786

IUPACN-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C21H22N2O4/c1-5-23-13(2)10-19(24)16-11-14(6-8-18(16)23)21(25)22-17-12-15(26-3)7-9-20(17)27-4/h6-12H,5H2,1-4H3,(H,22,25)
InChIKeyURDOUDILJWEUPO-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.60
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide

N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (PubChem CID 42534786) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
PubChem CID42534786
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C21H22N2O4/c1-5-23-13(2)10-19(24)16-11-14(6-8-18(16)23)21(25)22-17-12-15(26-3)7-9-20(17)27-4/h6-12H,5H2,1-4H3,(H,22,25)
InChIKeyURDOUDILJWEUPO-UHFFFAOYSA-N
XLogP3.60
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849579
N-(2-cyanophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849384
N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42537474
N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide
CID 17392150
N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849595
2-(6-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 1417073
1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
CID 42534269
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (CID 42534786) is N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is CCn1c(C)cc(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc21.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The InChIKey is URDOUDILJWEUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-5-23-13(2)10-19(24)16-11-14(6-8-18(16)23)21(25)22-17-12-15(26-3)7-9-20(17)27-4/h6-12H,5H2,1-4H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is sourced from PubChem (CID 42534786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).