2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

C22H22N2O2 — CID 3414776

IUPAC2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-15-8-10-16(11-9-15)21-13-19(18-6-2-3-7-20(18)24-21)22(25)23-14-17-5-4-12-26-17/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,23,25)
InChIKeyJBTYLSFKVSPVOY-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide

2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 3414776) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID3414776
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-15-8-10-16(11-9-15)21-13-19(18-6-2-3-7-20(18)24-21)22(25)23-14-17-5-4-12-26-17/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,23,25)
InChIKeyJBTYLSFKVSPVOY-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
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-(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-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-phenylquinoline-4-carboxylate
CID 2389461
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2129314
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23856693

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide (CID 3414776) is 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is JBTYLSFKVSPVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-8-10-16(11-9-15)21-13-19(18-6-2-3-7-20(18)24-21)22(25)23-14-17-5-4-12-26-17/h2-3,6-11,13,17H,4-5,12,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide?
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 3414776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).