2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide

C20H21ClN2O3 — CID 16835128

IUPAC2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
SMILESCOCC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
InChIInChI=1S/C20H21ClN2O3/c1-26-13-20(25)23-10-2-3-15-6-9-17(12-18(15)23)22-19(24)11-14-4-7-16(21)8-5-14/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyBSXXSNGQROURNE-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide

2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide (PubChem CID 16835128) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
PubChem CID16835128
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
SMILESCOCC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21
InChIInChI=1S/C20H21ClN2O3/c1-26-13-20(25)23-10-2-3-15-6-9-17(12-18(15)23)22-19(24)11-14-4-7-16(21)8-5-14/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyBSXXSNGQROURNE-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
CID 169359260
3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 71806499
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
2-(3,4-dimethoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835104
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
(3S)-5-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 97354721
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
CID 30372089
3-(4-methoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27604553
2,4-difluoro-N-[1-(2-methoxyacetyl)-2,3-dihydroindol-6-yl]benzamide
CID 142343952

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide (CID 16835128) is 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide is COCC(=O)N1CCCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
The InChIKey is BSXXSNGQROURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-13-20(25)23-10-2-3-15-6-9-17(12-18(15)23)22-19(24)11-14-4-7-16(21)8-5-14/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide has a molecular weight of 372.85 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide is sourced from PubChem (CID 16835128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).