N-(2,4-dicyclopentylquinolin-8-yl)benzamide

C26H28N2O — CID 154718854

IUPACN-(2,4-dicyclopentylquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c(C3CCCC3)cc(C3CCCC3)nc12)c1ccccc1
InChIInChI=1S/C26H28N2O/c29-26(20-13-2-1-3-14-20)28-23-16-8-15-21-22(18-9-4-5-10-18)17-24(27-25(21)23)19-11-6-7-12-19/h1-3,8,13-19H,4-7,9-12H2,(H,28,29)
InChIKeyWUODCBOUTMCZMX-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.80
Rot. Bonds4

About N-(2,4-dicyclopentylquinolin-8-yl)benzamide

N-(2,4-dicyclopentylquinolin-8-yl)benzamide (PubChem CID 154718854) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(2,4-dicyclopentylquinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dicyclopentylquinolin-8-yl)benzamide
PubChem CID154718854
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-(2,4-dicyclopentylquinolin-8-yl)benzamide
SMILESO=C(Nc1cccc2c(C3CCCC3)cc(C3CCCC3)nc12)c1ccccc1
InChIInChI=1S/C26H28N2O/c29-26(20-13-2-1-3-14-20)28-23-16-8-15-21-22(18-9-4-5-10-18)17-24(27-25(21)23)19-11-6-7-12-19/h1-3,8,13-19H,4-7,9-12H2,(H,28,29)
InChIKeyWUODCBOUTMCZMX-UHFFFAOYSA-N
XLogP6.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dicyclopentylquinolin-8-yl)benzamide?
The IUPAC name of N-(2,4-dicyclopentylquinolin-8-yl)benzamide (CID 154718854) is N-(2,4-dicyclopentylquinolin-8-yl)benzamide.
What is the SMILES notation for N-(2,4-dicyclopentylquinolin-8-yl)benzamide?
The canonical SMILES for N-(2,4-dicyclopentylquinolin-8-yl)benzamide is O=C(Nc1cccc2c(C3CCCC3)cc(C3CCCC3)nc12)c1ccccc1.
What is the InChIKey of N-(2,4-dicyclopentylquinolin-8-yl)benzamide?
The InChIKey is WUODCBOUTMCZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c29-26(20-13-2-1-3-14-20)28-23-16-8-15-21-22(18-9-4-5-10-18)17-24(27-25(21)23)19-11-6-7-12-19/h1-3,8,13-19H,4-7,9-12H2,(H,28,29).
What are the key properties of N-(2,4-dicyclopentylquinolin-8-yl)benzamide?
N-(2,4-dicyclopentylquinolin-8-yl)benzamide has a molecular weight of 384.52 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dicyclopentylquinolin-8-yl)benzamide is sourced from PubChem (CID 154718854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).