4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide

C22H23N3O — CID 66816166

IUPAC4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
SMILESCN(c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1)C1CCCC1
InChIInChI=1S/C22H23N3O/c1-25(19-7-3-4-8-19)20-12-10-16(11-13-20)22(26)24-18-14-17-6-2-5-9-21(17)23-15-18/h2,5-6,9-15,19H,3-4,7-8H2,1H3,(H,24,26)
InChIKeyWCERXNTYWUZDNA-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.87
Rot. Bonds4

About 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide

4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide (PubChem CID 66816166) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
PubChem CID66816166
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
SMILESCN(c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1)C1CCCC1
InChIInChI=1S/C22H23N3O/c1-25(19-7-3-4-8-19)20-12-10-16(11-13-20)22(26)24-18-14-17-6-2-5-9-21(17)23-15-18/h2,5-6,9-15,19H,3-4,7-8H2,1H3,(H,24,26)
InChIKeyWCERXNTYWUZDNA-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
1-cyclohexyl-N-quinolin-3-ylindole-5-carboxamide
CID 66815788
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295
6-(methylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 62808644
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
4-(4-phenylpiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815466
3-(cyclohexylmethylamino)-N-quinolin-3-ylbenzamide
CID 10451096
4-[3,7-dimethyloct-6-enyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66815493

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide (CID 66816166) is 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide is CN(c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide?
The InChIKey is WCERXNTYWUZDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25(19-7-3-4-8-19)20-12-10-16(11-13-20)22(26)24-18-14-17-6-2-5-9-21(17)23-15-18/h2,5-6,9-15,19H,3-4,7-8H2,1H3,(H,24,26).
What are the key properties of 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide?
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide has a molecular weight of 345.45 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 66816166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).