5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide

C21H20N2O2 — CID 132578532

IUPAC5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide
SMILESCc1ccc(C2CCCO2)c(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C21H20N2O2/c1-14-9-10-16(19-8-4-12-25-19)17(13-14)21(24)23-18-7-2-5-15-6-3-11-22-20(15)18/h2-3,5-7,9-11,13,19H,4,8,12H2,1H3,(H,23,24)
InChIKeyGIHWGZNDWSZAPQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.65
Rot. Bonds3

About 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide

5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide (PubChem CID 132578532) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide
PubChem CID132578532
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide
SMILESCc1ccc(C2CCCO2)c(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C21H20N2O2/c1-14-9-10-16(19-8-4-12-25-19)17(13-14)21(24)23-18-7-2-5-15-6-3-11-22-20(15)18/h2-3,5-7,9-11,13,19H,4,8,12H2,1H3,(H,23,24)
InChIKeyGIHWGZNDWSZAPQ-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-2-(quinolin-8-ylcarbamoyl)phenyl] 4-methylbenzoate
CID 138976811
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide
CID 102133728
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
2-(2,5-dimethylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109266661
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide (CID 132578532) is 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide is Cc1ccc(C2CCCO2)c(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide?
The InChIKey is GIHWGZNDWSZAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-9-10-16(19-8-4-12-25-19)17(13-14)21(24)23-18-7-2-5-15-6-3-11-22-20(15)18/h2-3,5-7,9-11,13,19H,4,8,12H2,1H3,(H,23,24).
What are the key properties of 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide?
5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide has a molecular weight of 332.40 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 132578532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).