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

C21H21N3O2 — CID 134019170

IUPACN-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc3ccc(C)cc23)c1C
InChIInChI=1S/C21H21N3O2/c1-12-8-9-20-16(10-12)17(11-13(2)22-20)21(26)24-19-7-5-6-18(14(19)3)23-15(4)25/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZBMODANAIFLBQC-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.37
Rot. Bonds3

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

N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide (PubChem CID 134019170) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide
PubChem CID134019170
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc3ccc(C)cc23)c1C
InChIInChI=1S/C21H21N3O2/c1-12-8-9-20-16(10-12)17(11-13(2)22-20)21(26)24-19-7-5-6-18(14(19)3)23-15(4)25/h5-11H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZBMODANAIFLBQC-UHFFFAOYSA-N
XLogP4.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 134008567
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,6-dimethylquinoline-4-carboxamide
CID 118170908
N-(5-ethyl-1,2-oxazol-3-yl)-2,6-dimethylquinoline-4-carboxamide
CID 166212065
2-(4-acetamidophenyl)-N-(3-acetylphenyl)-6-methylquinoline-4-carboxamide
CID 46375355
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 18277170
N-(3-acetamido-2-methylphenyl)-3,5-dimethylbenzamide
CID 39975965

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide (CID 134019170) is N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C)nc3ccc(C)cc23)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is ZBMODANAIFLBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-12-8-9-20-16(10-12)17(11-13(2)22-20)21(26)24-19-7-5-6-18(14(19)3)23-15(4)25/h5-11H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide?
N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 134019170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).