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

C21H20N2O3 — CID 42537474

IUPACN-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccc21
InChIInChI=1S/C21H20N2O3/c1-4-23-13(2)11-20(25)18-12-16(7-10-19(18)23)21(26)22-17-8-5-15(6-9-17)14(3)24/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeyCCKBVYOJDAOHJR-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.78
Rot. Bonds4

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

N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (PubChem CID 42537474) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
PubChem CID42537474
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
SMILESCCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccc21
InChIInChI=1S/C21H20N2O3/c1-4-23-13(2)11-20(25)18-12-16(7-10-19(18)23)21(26)22-17-8-5-15(6-9-17)14(3)24/h5-12H,4H2,1-3H3,(H,22,26)
InChIKeyCCKBVYOJDAOHJR-UHFFFAOYSA-N
XLogP3.78
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849595
N-(4-ethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849579
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
1-ethyl-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxoquinoline-6-carboxamide
CID 42534269
N-(2,5-dimethoxyphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 42534786
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083
N-(4-acetylphenyl)-1,2,3-trimethylindole-5-carboxamide
CID 5128643
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide (CID 42537474) is N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccc21.
What is the InChIKey of N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
The InChIKey is CCKBVYOJDAOHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-4-23-13(2)11-20(25)18-12-16(7-10-19(18)23)21(26)22-17-8-5-15(6-9-17)14(3)24/h5-12H,4H2,1-3H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide?
N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide is sourced from PubChem (CID 42537474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).