N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide

C21H21N3O3 — CID 33311358

IUPACN-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)cc1NC(C)=O
InChIInChI=1S/C21H21N3O3/c1-12-5-7-18-15(9-12)10-17(13(2)22-18)21(26)24-16-6-8-20(27-4)19(11-16)23-14(3)25/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyLLUMLIONWSJAIZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.07
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide

N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide (PubChem CID 33311358) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
PubChem CID33311358
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)cc1NC(C)=O
InChIInChI=1S/C21H21N3O3/c1-12-5-7-18-15(9-12)10-17(13(2)22-18)21(26)24-16-6-8-20(27-4)19(11-16)23-14(3)25/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyLLUMLIONWSJAIZ-UHFFFAOYSA-N
XLogP4.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2,6-dimethylquinoline-3-carboxamide
CID 47067402
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55466432
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 55653906
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinoline-3-carboxamide
CID 5455436
N-(5-acetamido-2-methoxyphenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 26243054
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide (CID 33311358) is N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide is COc1ccc(NC(=O)c2cc3cc(C)ccc3nc2C)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is LLUMLIONWSJAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12-5-7-18-15(9-12)10-17(13(2)22-18)21(26)24-16-6-8-20(27-4)19(11-16)23-14(3)25/h5-11H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 33311358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).