N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide

C19H22N2O5S — CID 7586263

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)c1
InChIInChI=1S/C19H22N2O5S/c1-13(22)21-10-4-5-14-6-7-15(11-17(14)21)20-27(23,24)19-12-16(25-2)8-9-18(19)26-3/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyJODBEPGZSFTBJW-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.80
Rot. Bonds5

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 7586263) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID7586263
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)c1
InChIInChI=1S/C19H22N2O5S/c1-13(22)21-10-4-5-14-6-7-15(11-17(14)21)20-27(23,24)19-12-16(25-2)8-9-18(19)26-3/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyJODBEPGZSFTBJW-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide (CID 7586263) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)c1.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is JODBEPGZSFTBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(22)21-10-4-5-14-6-7-15(11-17(14)21)20-27(23,24)19-12-16(25-2)8-9-18(19)26-3/h6-9,11-12,20H,4-5,10H2,1-3H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 7586263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).