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

C16H19ClN2O — CID 81426799

IUPAC3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C16H19ClN2O/c1-16(2,11-17)15(20)19-10-8-13-6-3-5-12-7-4-9-18-14(12)13/h3-7,9H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyGOSPUDXNGYQLSW-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.16
Rot. Bonds5

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

3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide (PubChem CID 81426799) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
PubChem CID81426799
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C16H19ClN2O/c1-16(2,11-17)15(20)19-10-8-13-6-3-5-12-7-4-9-18-14(12)13/h3-7,9H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyGOSPUDXNGYQLSW-UHFFFAOYSA-N
XLogP3.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.16
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

3-chloro-N-(2-quinolin-8-ylethyl)propanamide
CID 81427870
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide
CID 111383121

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide (CID 81426799) is 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide is CC(C)(CCl)C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide?
The InChIKey is GOSPUDXNGYQLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2,11-17)15(20)19-10-8-13-6-3-5-12-7-4-9-18-14(12)13/h3-7,9H,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide?
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide has a molecular weight of 290.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide is sourced from PubChem (CID 81426799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).