4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide

C19H20N4O6S — CID 5120538

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide
SMILESO=C(CCC(=O)N1CCCc2ccccc21)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O6S/c24-18(20-21-30(28,29)17-10-4-3-9-16(17)23(26)27)11-12-19(25)22-13-5-7-14-6-1-2-8-15(14)22/h1-4,6,8-10,21H,5,7,11-13H2,(H,20,24)
InChIKeyMLWCTCFJCAIFRF-UHFFFAOYSA-N
MW432.46 g/mol
LogP1.66
Rot. Bonds7

About 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide

4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide (PubChem CID 5120538) has the molecular formula C19H20N4O6S and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide
PubChem CID5120538
Molecular FormulaC19H20N4O6S
Molecular Weight432.46 g/mol
Exact Mass432.11
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide
SMILESO=C(CCC(=O)N1CCCc2ccccc21)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O6S/c24-18(20-21-30(28,29)17-10-4-3-9-16(17)23(26)27)11-12-19(25)22-13-5-7-14-6-1-2-8-15(14)22/h1-4,6,8-10,21H,5,7,11-13H2,(H,20,24)
InChIKeyMLWCTCFJCAIFRF-UHFFFAOYSA-N
XLogP1.66
TPSA138.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-nitrophenoxy)butan-1-one
CID 84550980
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-nitrobenzenesulfonamide
CID 7517558
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 2766093
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-nitrobenzenesulfonamide
CID 7517597
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-N-methyl-4-nitrobenzenesulfonamide
CID 2216284
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 891210

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide (CID 5120538) is 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide is O=C(CCC(=O)N1CCCc2ccccc21)NNS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide?
The InChIKey is MLWCTCFJCAIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6S/c24-18(20-21-30(28,29)17-10-4-3-9-16(17)23(26)27)11-12-19(25)22-13-5-7-14-6-1-2-8-15(14)22/h1-4,6,8-10,21H,5,7,11-13H2,(H,20,24).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide?
4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide has a molecular weight of 432.46 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-N'-(2-nitrophenyl)sulfonyl-4-oxobutanehydrazide is sourced from PubChem (CID 5120538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).