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

C21H21FN2O3 — CID 7517256

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C21H21FN2O3/c22-17-5-1-2-6-19(17)27-13-20(25)23-16-10-9-14-4-3-11-24(18(14)12-16)21(26)15-7-8-15/h1-2,5-6,9-10,12,15H,3-4,7-8,11,13H2,(H,23,25)
InChIKeyOUGJVDINFKBKGP-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.53
Rot. Bonds5

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

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 7517256) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID7517256
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C21H21FN2O3/c22-17-5-1-2-6-19(17)27-13-20(25)23-16-10-9-14-4-3-11-24(18(14)12-16)21(26)15-7-8-15/h1-2,5-6,9-10,12,15H,3-4,7-8,11,13H2,(H,23,25)
InChIKeyOUGJVDINFKBKGP-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 7586187
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 7517220
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180
2-(2-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517535
2-(2-fluorophenoxy)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7687155
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-(3,4-difluorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohexane-1-carboxamide
CID 109150627
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298205
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 16942901
3-(2-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 71806499
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide (CID 7517256) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is OUGJVDINFKBKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-17-5-1-2-6-19(17)27-13-20(25)23-16-10-9-14-4-3-11-24(18(14)12-16)21(26)15-7-8-15/h1-2,5-6,9-10,12,15H,3-4,7-8,11,13H2,(H,23,25).
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 368.41 g/mol, XLogP of 3.53, 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-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 7517256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).