4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide

C23H24N2O6S — CID 25039684

IUPAC4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)c(OC)c1
InChIInChI=1S/C23H24N2O6S/c1-30-15-8-11-17(21(12-15)31-2)18-13-22(27)25(19-4-3-5-20(26)23(18)19)14-6-9-16(10-7-14)32(24,28)29/h6-12,18H,3-5,13H2,1-2H3,(H2,24,28,29)
InChIKeyOJTDXFPWIBSBGB-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.88
Rot. Bonds5

About 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide

4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide (PubChem CID 25039684) has the molecular formula C23H24N2O6S and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
PubChem CID25039684
Molecular FormulaC23H24N2O6S
Molecular Weight456.52 g/mol
Exact Mass456.14
IUPAC Name4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
SMILESCOc1ccc(C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)c(OC)c1
InChIInChI=1S/C23H24N2O6S/c1-30-15-8-11-17(21(12-15)31-2)18-13-22(27)25(19-4-3-5-20(26)23(18)19)14-6-9-16(10-7-14)32(24,28)29/h6-12,18H,3-5,13H2,1-2H3,(H2,24,28,29)
InChIKeyOJTDXFPWIBSBGB-UHFFFAOYSA-N
XLogP2.88
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide (CID 25039684) is 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide is COc1ccc(C2CC(=O)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)c(OC)c1.
What is the InChIKey of 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
The InChIKey is OJTDXFPWIBSBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S/c1-30-15-8-11-17(21(12-15)31-2)18-13-22(27)25(19-4-3-5-20(26)23(18)19)14-6-9-16(10-7-14)32(24,28)29/h6-12,18H,3-5,13H2,1-2H3,(H2,24,28,29).
What are the key properties of 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide has a molecular weight of 456.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide is sourced from PubChem (CID 25039684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).