1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide

C22H26N2O3S — CID 118870536

IUPAC1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-13-24-21-11-10-20(14-19(21)9-12-22(24)25)23-28(26,27)15-16-3-5-17(6-4-16)18-7-8-18/h3-6,10-11,14,18,23H,2,7-9,12-13,15H2,1H3
InChIKeyHLPJEMXXCVCYKX-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.20
Rot. Bonds7

About 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide

1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide (PubChem CID 118870536) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
PubChem CID118870536
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-13-24-21-11-10-20(14-19(21)9-12-22(24)25)23-28(26,27)15-16-3-5-17(6-4-16)18-7-8-18/h3-6,10-11,14,18,23H,2,7-9,12-13,15H2,1H3
InChIKeyHLPJEMXXCVCYKX-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide (CID 118870536) is 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide is CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)ccc21.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The InChIKey is HLPJEMXXCVCYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-2-13-24-21-11-10-20(14-19(21)9-12-22(24)25)23-28(26,27)15-16-3-5-17(6-4-16)18-7-8-18/h3-6,10-11,14,18,23H,2,7-9,12-13,15H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide?
1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 118870536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).