2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide

C23H24N2O3 — CID 60612986

IUPAC2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NOC3CCCCO3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H24N2O3/c1-15-10-11-17(16(2)13-15)21-14-19(18-7-3-4-8-20(18)24-21)23(26)25-28-22-9-5-6-12-27-22/h3-4,7-8,10-11,13-14,22H,5-6,9,12H2,1-2H3,(H,25,26)
InChIKeyJDWFMHCOFIVRAD-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.71
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide (PubChem CID 60612986) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide
PubChem CID60612986
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NOC3CCCCO3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H24N2O3/c1-15-10-11-17(16(2)13-15)21-14-19(18-7-3-4-8-20(18)24-21)23(26)25-28-22-9-5-6-12-27-22/h3-4,7-8,10-11,13-14,22H,5-6,9,12H2,1-2H3,(H,25,26)
InChIKeyJDWFMHCOFIVRAD-UHFFFAOYSA-N
XLogP4.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
CID 52829074
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315
N-[3-(dimethylcarbamoyl)phenyl]-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 32849375
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide (CID 60612986) is 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NOC3CCCCO3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide?
The InChIKey is JDWFMHCOFIVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-10-11-17(16(2)13-15)21-14-19(18-7-3-4-8-20(18)24-21)23(26)25-28-22-9-5-6-12-27-22/h3-4,7-8,10-11,13-14,22H,5-6,9,12H2,1-2H3,(H,25,26).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide is sourced from PubChem (CID 60612986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).