2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide

C21H25ClN2O — CID 16837170

IUPAC2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
SMILESCCCN1CCCc2cc(CCNC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C21H25ClN2O/c1-2-13-24-14-5-6-17-15-16(9-10-20(17)24)11-12-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,25)
InChIKeyFDJJZKLOVSDVIK-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.48
Rot. Bonds6

About 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide

2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide (PubChem CID 16837170) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
PubChem CID16837170
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
SMILESCCCN1CCCc2cc(CCNC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C21H25ClN2O/c1-2-13-24-14-5-6-17-15-16(9-10-20(17)24)11-12-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,25)
InChIKeyFDJJZKLOVSDVIK-UHFFFAOYSA-N
XLogP4.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379546
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379595
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837402
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16837431
N'-(2-chlorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837382
N'-(1,2-oxazol-3-yl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837421
N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 42065366
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide (CID 16837170) is 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide is CCCN1CCCc2cc(CCNC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
The InChIKey is FDJJZKLOVSDVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-2-13-24-14-5-6-17-15-16(9-10-20(17)24)11-12-23-21(25)18-7-3-4-8-19(18)22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide?
2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide has a molecular weight of 356.90 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide is sourced from PubChem (CID 16837170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).