N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide

C22H25ClN2O3S — CID 138106699

IUPACN-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)cc(Cl)c21
InChIInChI=1S/C22H25ClN2O3S/c1-2-11-25-21(26)10-9-18-12-19(13-20(23)22(18)25)24-29(27,28)14-15-3-5-16(6-4-15)17-7-8-17/h3-6,12-13,17,24H,2,7-11,14H2,1H3
InChIKeyXIJPCENAXMOUKD-UHFFFAOYSA-N
MW432.97 g/mol
LogP4.85
Rot. Bonds7

About N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide

N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide (PubChem CID 138106699) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide
PubChem CID138106699
Molecular FormulaC22H25ClN2O3S
Molecular Weight432.97 g/mol
Exact Mass432.13
IUPAC NameN-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)cc(Cl)c21
InChIInChI=1S/C22H25ClN2O3S/c1-2-11-25-21(26)10-9-18-12-19(13-20(23)22(18)25)24-29(27,28)14-15-3-5-16(6-4-15)17-7-8-17/h3-6,12-13,17,24H,2,7-11,14H2,1H3
InChIKeyXIJPCENAXMOUKD-UHFFFAOYSA-N
XLogP4.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide?
The IUPAC name of N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide (CID 138106699) is N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide.
What is the SMILES notation for N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide?
The canonical SMILES for N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide is CCCN1C(=O)CCc2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)cc(Cl)c21.
What is the InChIKey of N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide?
The InChIKey is XIJPCENAXMOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3S/c1-2-11-25-21(26)10-9-18-12-19(13-20(23)22(18)25)24-29(27,28)14-15-3-5-16(6-4-15)17-7-8-17/h3-6,12-13,17,24H,2,7-11,14H2,1H3.
What are the key properties of N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide?
N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide has a molecular weight of 432.97 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-1-(4-cyclopropylphenyl)methanesulfonamide is sourced from PubChem (CID 138106699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).