N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide

C24H26N2O — CID 21361573

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C24H26N2O/c1-24(2)13-5-7-21(24)16-26-23(27)18-11-9-17(10-12-18)20-14-19-6-3-4-8-22(19)25-15-20/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3,(H,26,27)
InChIKeyAQJLDBLKCCAXGP-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.46
Rot. Bonds4

About N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide

N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide (PubChem CID 21361573) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide
PubChem CID21361573
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide
SMILESCC1(C)CCCC1CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C24H26N2O/c1-24(2)13-5-7-21(24)16-26-23(27)18-11-9-17(10-12-18)20-14-19-6-3-4-8-22(19)25-15-20/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3,(H,26,27)
InChIKeyAQJLDBLKCCAXGP-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide (CID 21361573) is N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide is CC1(C)CCCC1CNC(=O)c1ccc(-c2cnc3ccccc3c2)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide?
The InChIKey is AQJLDBLKCCAXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-24(2)13-5-7-21(24)16-26-23(27)18-11-9-17(10-12-18)20-14-19-6-3-4-8-22(19)25-15-20/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3,(H,26,27).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide?
N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide has a molecular weight of 358.49 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-4-quinolin-3-ylbenzamide is sourced from PubChem (CID 21361573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).