N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide

C23H24N2O — CID 154718849

IUPACN-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2ccc(CCC3CCCC3)nc12)c1ccccc1
InChIInChI=1S/C23H24N2O/c26-23(19-9-2-1-3-10-19)25-21-12-6-11-18-14-16-20(24-22(18)21)15-13-17-7-4-5-8-17/h1-3,6,9-12,14,16-17H,4-5,7-8,13,15H2,(H,25,26)
InChIKeyATEKCMZEZQTNTP-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.61
Rot. Bonds5

About N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide

N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide (PubChem CID 154718849) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide
PubChem CID154718849
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide
SMILESO=C(Nc1cccc2ccc(CCC3CCCC3)nc12)c1ccccc1
InChIInChI=1S/C23H24N2O/c26-23(19-9-2-1-3-10-19)25-21-12-6-11-18-14-16-20(24-22(18)21)15-13-17-7-4-5-8-17/h1-3,6,9-12,14,16-17H,4-5,7-8,13,15H2,(H,25,26)
InChIKeyATEKCMZEZQTNTP-UHFFFAOYSA-N
XLogP5.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide?
The IUPAC name of N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide (CID 154718849) is N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide.
What is the SMILES notation for N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide?
The canonical SMILES for N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide is O=C(Nc1cccc2ccc(CCC3CCCC3)nc12)c1ccccc1.
What is the InChIKey of N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide?
The InChIKey is ATEKCMZEZQTNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c26-23(19-9-2-1-3-10-19)25-21-12-6-11-18-14-16-20(24-22(18)21)15-13-17-7-4-5-8-17/h1-3,6,9-12,14,16-17H,4-5,7-8,13,15H2,(H,25,26).
What are the key properties of N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide?
N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylethyl)quinolin-8-yl]benzamide is sourced from PubChem (CID 154718849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).