N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide

C22H26N2O3S — CID 110326441

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc(C)c2cc(CCNS(=O)(=O)CCCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N2O3S/c1-16-13-17(2)20-15-19(22(25)24-21(20)14-16)10-11-23-28(26,27)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-15,23H,6,9-12H2,1-2H3,(H,24,25)
InChIKeyFGCWNKPSVNYHCV-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.24
Rot. Bonds8

About N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110326441) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
PubChem CID110326441
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc(C)c2cc(CCNS(=O)(=O)CCCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N2O3S/c1-16-13-17(2)20-15-19(22(25)24-21(20)14-16)10-11-23-28(26,27)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-15,23H,6,9-12H2,1-2H3,(H,24,25)
InChIKeyFGCWNKPSVNYHCV-UHFFFAOYSA-N
XLogP3.24
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
CID 4107211
N-(2-(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)acetamide
CID 3240947
N-(2-ethylsulfonyl-6-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 45267133
N-(2,4-dimethylphenyl)-N-((2-hydroxy-7-methylquinolin-3-yl)methyl)methanesulfonamide
CID 1962965
N-(2,3-dimethylphenyl)-N-((2-hydroxy-6-methylquinolin-3-yl)methyl)benzenesulfonamide
CID 1970013
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 2967360
N-(5,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-4-methyl-N-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-benzenesulfonamide
CID 3203401
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 3236577
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamide
CID 3238180
N-[2-(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]ethanesulfonamide
CID 3243103

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide (CID 110326441) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide is Cc1cc(C)c2cc(CCNS(=O)(=O)CCCc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is FGCWNKPSVNYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-16-13-17(2)20-15-19(22(25)24-21(20)14-16)10-11-23-28(26,27)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,13-15,23H,6,9-12H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110326441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).