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

C29H28N2O5S — CID 25043224

IUPAC4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
SMILESCCOc1ccccc1C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C29H28N2O5S/c1-2-36-27-11-7-6-10-23(27)24-18-28(33)31(21-12-14-22(15-13-21)37(30,34)35)25-16-20(17-26(32)29(24)25)19-8-4-3-5-9-19/h3-15,20,24H,2,16-18H2,1H3,(H2,30,34,35)
InChIKeyIYVHCTZVROHLCZ-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.65
Rot. Bonds6

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

4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide (PubChem CID 25043224) has the molecular formula C29H28N2O5S and a molecular weight of 516.62 g/mol. Its IUPAC name is 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
PubChem CID25043224
Molecular FormulaC29H28N2O5S
Molecular Weight516.62 g/mol
Exact Mass516.17
IUPAC Name4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
SMILESCCOc1ccccc1C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CC(c1ccccc1)C2
InChIInChI=1S/C29H28N2O5S/c1-2-36-27-11-7-6-10-23(27)24-18-28(33)31(21-12-14-22(15-13-21)37(30,34)35)25-16-20(17-26(32)29(24)25)19-8-4-3-5-9-19/h3-15,20,24H,2,16-18H2,1H3,(H2,30,34,35)
InChIKeyIYVHCTZVROHLCZ-UHFFFAOYSA-N
XLogP4.65
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,3-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25042120
4-[4-(2,6-dichlorophenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25045338
(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036530
4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
(4R)-1-(4-bromophenyl)-4-(2-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036535
4-(2,3-dimethoxyphenyl)-1-(3-methoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23998976
4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23743938
2-chloro-5-[4-(2-ethoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydroquinolin-1-yl]benzoic acid
CID 23802361
4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887207
4-[7,7-dimethyl-2,5-dioxo-4-(4-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinolin-1-yl]benzenesulfonamide
CID 25037018
4-chloro-3-[4-(2-methoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23887217
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25039684

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide (CID 25043224) is 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide is CCOc1ccccc1C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CC(c1ccccc1)C2.
What is the InChIKey of 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
The InChIKey is IYVHCTZVROHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5S/c1-2-36-27-11-7-6-10-23(27)24-18-28(33)31(21-12-14-22(15-13-21)37(30,34)35)25-16-20(17-26(32)29(24)25)19-8-4-3-5-9-19/h3-15,20,24H,2,16-18H2,1H3,(H2,30,34,35).
What are the key properties of 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide?
4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide has a molecular weight of 516.62 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxyphenyl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide is sourced from PubChem (CID 25043224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).