4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide

C22H31N3O4S — CID 75458373

IUPAC4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide
SMILESCCOc1ccc2c(c1)C(C)CC(C)(C)N2S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1
InChIInChI=1S/C22H31N3O4S/c1-8-29-16-9-10-19-18(11-16)15(2)13-22(3,4)25(19)30(27,28)17-12-20(24(7)14-17)21(26)23(5)6/h9-12,14-15H,8,13H2,1-7H3
InChIKeyHXXFERJCBLCPIV-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.61
Rot. Bonds5

About 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide

4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide (PubChem CID 75458373) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide
PubChem CID75458373
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide
SMILESCCOc1ccc2c(c1)C(C)CC(C)(C)N2S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1
InChIInChI=1S/C22H31N3O4S/c1-8-29-16-9-10-19-18(11-16)15(2)13-22(3,4)25(19)30(27,28)17-12-20(24(7)14-17)21(26)23(5)6/h9-12,14-15H,8,13H2,1-7H3
InChIKeyHXXFERJCBLCPIV-UHFFFAOYSA-N
XLogP3.61
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide?
The IUPAC name of 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide (CID 75458373) is 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide is CCOc1ccc2c(c1)C(C)CC(C)(C)N2S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1.
What is the InChIKey of 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide?
The InChIKey is HXXFERJCBLCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-8-29-16-9-10-19-18(11-16)15(2)13-22(3,4)25(19)30(27,28)17-12-20(24(7)14-17)21(26)23(5)6/h9-12,14-15H,8,13H2,1-7H3.
What are the key properties of 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide?
4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)sulfonyl]-N,N,1-trimethylpyrrole-2-carboxamide is sourced from PubChem (CID 75458373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).