N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C24H27N3O5S — CID 3242167

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H27N3O5S/c1-16-13-20-15-19(24(29)26-22(20)14-17(16)2)7-8-25-23(28)18-3-5-21(6-4-18)33(30,31)27-9-11-32-12-10-27/h3-6,13-15H,7-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWAJDHSGOJYKBSX-UHFFFAOYSA-N
MW469.56 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 3242167) has the molecular formula C24H27N3O5S and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID3242167
Molecular FormulaC24H27N3O5S
Molecular Weight469.56 g/mol
Exact Mass469.17
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H27N3O5S/c1-16-13-20-15-19(24(29)26-22(20)14-17(16)2)7-8-25-23(28)18-3-5-21(6-4-18)33(30,31)27-9-11-32-12-10-27/h3-6,13-15H,7-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWAJDHSGOJYKBSX-UHFFFAOYSA-N
XLogP2.14
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide 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-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 3242167) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is Cc1cc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WAJDHSGOJYKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5S/c1-16-13-20-15-19(24(29)26-22(20)14-17(16)2)7-8-25-23(28)18-3-5-21(6-4-18)33(30,31)27-9-11-32-12-10-27/h3-6,13-15H,7-12H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 469.56 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3242167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).