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

C19H21FN2O4S — CID 43990325

IUPAC1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C19H21FN2O4S/c1-26-12-19(23)22-10-2-3-15-6-9-17(11-18(15)22)21-27(24,25)13-14-4-7-16(20)8-5-14/h4-9,11,21H,2-3,10,12-13H2,1H3
InChIKeyYQPBTSCJYCQKCS-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.69
Rot. Bonds6

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

1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (PubChem CID 43990325) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
PubChem CID43990325
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C19H21FN2O4S/c1-26-12-19(23)22-10-2-3-15-6-9-17(11-18(15)22)21-27(24,25)13-14-4-7-16(20)8-5-14/h4-9,11,21H,2-3,10,12-13H2,1H3
InChIKeyYQPBTSCJYCQKCS-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (CID 43990325) is 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is COCC(=O)N1CCCc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The InChIKey is YQPBTSCJYCQKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-26-12-19(23)22-10-2-3-15-6-9-17(11-18(15)22)21-27(24,25)13-14-4-7-16(20)8-5-14/h4-9,11,21H,2-3,10,12-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 43990325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).