3-chloro-N-(2-quinolin-8-ylethyl)propanamide

C14H15ClN2O — CID 81427870

IUPAC3-chloro-N-(2-quinolin-8-ylethyl)propanamide
SMILESO=C(CCCl)NCCc1cccc2cccnc12
InChIInChI=1S/C14H15ClN2O/c15-8-6-13(18)16-10-7-12-4-1-3-11-5-2-9-17-14(11)12/h1-5,9H,6-8,10H2,(H,16,18)
InChIKeyORIFPVMAMGRALP-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.52
Rot. Bonds5

About 3-chloro-N-(2-quinolin-8-ylethyl)propanamide

3-chloro-N-(2-quinolin-8-ylethyl)propanamide (PubChem CID 81427870) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-N-(2-quinolin-8-ylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-quinolin-8-ylethyl)propanamide
PubChem CID81427870
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-N-(2-quinolin-8-ylethyl)propanamide
SMILESO=C(CCCl)NCCc1cccc2cccnc12
InChIInChI=1S/C14H15ClN2O/c15-8-6-13(18)16-10-7-12-4-1-3-11-5-2-9-17-14(11)12/h1-5,9H,6-8,10H2,(H,16,18)
InChIKeyORIFPVMAMGRALP-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide
CID 18149370
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
4-(cyclohexylcarbamoylamino)-N-(2-quinolin-8-ylethyl)butanamide
CID 18153096

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-quinolin-8-ylethyl)propanamide?
The IUPAC name of 3-chloro-N-(2-quinolin-8-ylethyl)propanamide (CID 81427870) is 3-chloro-N-(2-quinolin-8-ylethyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-quinolin-8-ylethyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-quinolin-8-ylethyl)propanamide is O=C(CCCl)NCCc1cccc2cccnc12.
What is the InChIKey of 3-chloro-N-(2-quinolin-8-ylethyl)propanamide?
The InChIKey is ORIFPVMAMGRALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-8-6-13(18)16-10-7-12-4-1-3-11-5-2-9-17-14(11)12/h1-5,9H,6-8,10H2,(H,16,18).
What are the key properties of 3-chloro-N-(2-quinolin-8-ylethyl)propanamide?
3-chloro-N-(2-quinolin-8-ylethyl)propanamide has a molecular weight of 262.74 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-quinolin-8-ylethyl)propanamide is sourced from PubChem (CID 81427870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).