1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C18H20N2O4S — CID 7401518

IUPAC1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)20-11-3-4-14-12-17(9-10-18(14)20)25(22,23)19-15-5-7-16(24-2)8-6-15/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyXCHTUSCUANPMQF-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.80
Rot. Bonds4

About 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 7401518) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID7401518
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)20-11-3-4-14-12-17(9-10-18(14)20)25(22,23)19-15-5-7-16(24-2)8-6-15/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyXCHTUSCUANPMQF-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 7401518) is 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1.
What is the InChIKey of 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is XCHTUSCUANPMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(21)20-11-3-4-14-12-17(9-10-18(14)20)25(22,23)19-15-5-7-16(24-2)8-6-15/h5-10,12,19H,3-4,11H2,1-2H3.
What are the key properties of 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 7401518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).