N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide

C21H21N3O2 — CID 32851617

IUPACN-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2c1
InChIInChI=1S/C21H21N3O2/c1-13-8-9-19-16(10-13)12-18(14(2)22-19)20(25)23-17-7-5-6-15(11-17)21(26)24(3)4/h5-12H,1-4H3,(H,23,25)
InChIKeySIBTYWQWDSRBSY-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.81
Rot. Bonds3

About N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 32851617) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID32851617
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2c1
InChIInChI=1S/C21H21N3O2/c1-13-8-9-19-16(10-13)12-18(14(2)22-19)20(25)23-17-7-5-6-15(11-17)21(26)24(3)4/h5-12H,1-4H3,(H,23,25)
InChIKeySIBTYWQWDSRBSY-UHFFFAOYSA-N
XLogP3.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-[3-(1,3-dithiolan-2-yl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 35852244
N-[3-(dimethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 32851473
N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 32849375
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
2,6-dimethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]quinoline-3-carboxamide
CID 55466865
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 100642237
5-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890345
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide (CID 32851617) is N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3cccc(C(=O)N(C)C)c3)cc2c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is SIBTYWQWDSRBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-8-9-19-16(10-13)12-18(14(2)22-19)20(25)23-17-7-5-6-15(11-17)21(26)24(3)4/h5-12H,1-4H3,(H,23,25).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 32851617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).