N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide

C23H26N4O5S — CID 162753865

IUPACN-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide
SMILESCOc1cc(N2CCN(C)c3ccc(S(=O)(=O)NC(C)=O)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C23H26N4O5S/c1-14-10-18-20(26(4)23(14)29)11-16(32-5)12-21(18)27-9-8-25(3)19-7-6-17(13-22(19)27)33(30,31)24-15(2)28/h6-7,10-13H,8-9H2,1-5H3,(H,24,28)
InChIKeyXWHJTUJTCBBUOY-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.27
Rot. Bonds4

About N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide

N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide (PubChem CID 162753865) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide
PubChem CID162753865
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide
SMILESCOc1cc(N2CCN(C)c3ccc(S(=O)(=O)NC(C)=O)cc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C23H26N4O5S/c1-14-10-18-20(26(4)23(14)29)11-16(32-5)12-21(18)27-9-8-25(3)19-7-6-17(13-22(19)27)33(30,31)24-15(2)28/h6-7,10-13H,8-9H2,1-5H3,(H,24,28)
InChIKeyXWHJTUJTCBBUOY-UHFFFAOYSA-N
XLogP2.27
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide?
The IUPAC name of N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide (CID 162753865) is N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide.
What is the SMILES notation for N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide?
The canonical SMILES for N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide is COc1cc(N2CCN(C)c3ccc(S(=O)(=O)NC(C)=O)cc32)c2cc(C)c(=O)n(C)c2c1.
What is the InChIKey of N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide?
The InChIKey is XWHJTUJTCBBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-14-10-18-20(26(4)23(14)29)11-16(32-5)12-21(18)27-9-8-25(3)19-7-6-17(13-22(19)27)33(30,31)24-15(2)28/h6-7,10-13H,8-9H2,1-5H3,(H,24,28).
What are the key properties of N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide?
N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide has a molecular weight of 470.55 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide is sourced from PubChem (CID 162753865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).