5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide

C25H22N2O — CID 102133728

IUPAC5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide
SMILESCc1ccc(CCc2ccccc2)c(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C25H22N2O/c1-18-12-14-20(15-13-19-7-3-2-4-8-19)22(17-18)25(28)27-23-11-5-9-21-10-6-16-26-24(21)23/h2-12,14,16-17H,13,15H2,1H3,(H,27,28)
InChIKeyFXFJFFQGTBVZDO-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.58
Rot. Bonds5

About 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide

5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide (PubChem CID 102133728) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide
PubChem CID102133728
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide
SMILESCc1ccc(CCc2ccccc2)c(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C25H22N2O/c1-18-12-14-20(15-13-19-7-3-2-4-8-19)22(17-18)25(28)27-23-11-5-9-21-10-6-16-26-24(21)23/h2-12,14,16-17H,13,15H2,1H3,(H,27,28)
InChIKeyFXFJFFQGTBVZDO-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
[4-methyl-2-(quinolin-8-ylcarbamoyl)phenyl] 4-methylbenzoate
CID 138976811
2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 71657963
[4-butyl-3-(quinolin-8-ylcarbamoyl)phenyl] acetate
CID 135057451
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
5-methyl-2-(oxolan-2-yl)-N-quinolin-8-ylbenzamide
CID 132578532
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide (CID 102133728) is 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide is Cc1ccc(CCc2ccccc2)c(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide?
The InChIKey is FXFJFFQGTBVZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-18-12-14-20(15-13-19-7-3-2-4-8-19)22(17-18)25(28)27-23-11-5-9-21-10-6-16-26-24(21)23/h2-12,14,16-17H,13,15H2,1H3,(H,27,28).
What are the key properties of 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide?
5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenylethyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 102133728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).