2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide

C22H23N3O2 — CID 36556980

IUPAC2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2c1
InChIInChI=1S/C22H23N3O2/c1-13(2)21(26)24-16-6-8-17(9-7-16)25-22(27)19-12-15(4)23-20-10-5-14(3)11-18(19)20/h5-13H,1-4H3,(H,24,26)(H,25,27)
InChIKeyQCVRVHZHTRVYOM-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.70
Rot. Bonds4

About 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide

2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide (PubChem CID 36556980) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
PubChem CID36556980
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2c1
InChIInChI=1S/C22H23N3O2/c1-13(2)21(26)24-16-6-8-17(9-7-16)25-22(27)19-12-15(4)23-20-10-5-14(3)11-18(19)20/h5-13H,1-4H3,(H,24,26)(H,25,27)
InChIKeyQCVRVHZHTRVYOM-UHFFFAOYSA-N
XLogP4.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]quinoline-4-carboxamide
CID 18079833
2,6-dimethyl-N-[4-(4-nitrophenyl)sulfonylphenyl]quinoline-4-carboxamide
CID 29195167
2-hydroxy-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36556789
N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide
CID 134019170
2-(4-fluorophenyl)-6-methyl-N-(4-methylphenyl)quinoline-4-carboxamide
CID 42749727
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,6-dimethylquinoline-4-carboxamide
CID 55947949
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
5-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1H-indazole-3-carboxamide
CID 78868598

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide (CID 36556980) is 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c2c1.
What is the InChIKey of 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
The InChIKey is QCVRVHZHTRVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13(2)21(26)24-16-6-8-17(9-7-16)25-22(27)19-12-15(4)23-20-10-5-14(3)11-18(19)20/h5-13H,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide?
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 36556980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).