2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

C22H22N2O2 — CID 25272573

IUPAC2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NC[C@@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-15-7-2-3-9-17(15)21-13-19(18-10-4-5-11-20(18)24-21)22(25)23-14-16-8-6-12-26-16/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyPWVLWJGEZIMKGP-INIZCTEOSA-N
MW346.43 g/mol
LogP4.12
Rot. Bonds4

About 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide

2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 25272573) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID25272573
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)NC[C@@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C22H22N2O2/c1-15-7-2-3-9-17(15)21-13-19(18-10-4-5-11-20(18)24-21)22(25)23-14-16-8-6-12-26-16/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyPWVLWJGEZIMKGP-INIZCTEOSA-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-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519
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-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23767440
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 4051739

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide (CID 25272573) is 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is Cc1ccccc1-c1cc(C(=O)NC[C@@H]2CCCO2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is PWVLWJGEZIMKGP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-7-2-3-9-17(15)21-13-19(18-10-4-5-11-20(18)24-21)22(25)23-14-16-8-6-12-26-16/h2-5,7,9-11,13,16H,6,8,12,14H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]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-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 25272573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).