2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

C23H24N2O2 — CID 2886977

IUPAC2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H24N2O2/c1-15-9-10-18(16(2)12-15)22-13-20(19-7-3-4-8-21(19)25-22)23(26)24-14-17-6-5-11-27-17/h3-4,7-10,12-13,17H,5-6,11,14H2,1-2H3,(H,24,26)
InChIKeyRAWBLNZBLSDNCO-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.43
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 2886977) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID2886977
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H24N2O2/c1-15-9-10-18(16(2)12-15)22-13-20(19-7-3-4-8-21(19)25-22)23(26)24-14-17-6-5-11-27-17/h3-4,7-10,12-13,17H,5-6,11,14H2,1-2H3,(H,24,26)
InChIKeyRAWBLNZBLSDNCO-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide
CID 60612986
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 2886977) is 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is RAWBLNZBLSDNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15-9-10-18(16(2)12-15)22-13-20(19-7-3-4-8-21(19)25-22)23(26)24-14-17-6-5-11-27-17/h3-4,7-10,12-13,17H,5-6,11,14H2,1-2H3,(H,24,26).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2886977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).