N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide

C21H22N2O3 — CID 7586187

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C21H22N2O3/c24-20(14-26-18-6-2-1-3-7-18)22-17-11-10-15-5-4-12-23(19(15)13-17)21(25)16-8-9-16/h1-3,6-7,10-11,13,16H,4-5,8-9,12,14H2,(H,22,24)
InChIKeyGGVNOHRANYLYRO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.39
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide (PubChem CID 7586187) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
PubChem CID7586187
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C21H22N2O3/c24-20(14-26-18-6-2-1-3-7-18)22-17-11-10-15-5-4-12-23(19(15)13-17)21(25)16-8-9-16/h1-3,6-7,10-11,13,16H,4-5,8-9,12,14H2,(H,22,24)
InChIKeyGGVNOHRANYLYRO-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
CID 7517256
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565098
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 7517220
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241
N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 48526400
2-(4-tert-butylphenoxy)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943550
trans-(1S,3S)-3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391466

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide (CID 7586187) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
The InChIKey is GGVNOHRANYLYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20(14-26-18-6-2-1-3-7-18)22-17-11-10-15-5-4-12-23(19(15)13-17)21(25)16-8-9-16/h1-3,6-7,10-11,13,16H,4-5,8-9,12,14H2,(H,22,24).
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide has a molecular weight of 350.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide is sourced from PubChem (CID 7586187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).