4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione

C19H14N4O4 — CID 10737340

IUPAC4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione
SMILESO=C1CC(c2ccccc2[N+](=O)[O-])c2c(c(-c3ccccc3)n[nH]c2=O)N1
InChIInChI=1S/C19H14N4O4/c24-15-10-13(12-8-4-5-9-14(12)23(26)27)16-18(20-15)17(21-22-19(16)25)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,20,24)(H,22,25)
InChIKeyQWSBYVXNUUJPQN-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.82
Rot. Bonds3

About 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione

4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione (PubChem CID 10737340) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione.

Molecular Properties

Compound Name4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione
PubChem CID10737340
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione
SMILESO=C1CC(c2ccccc2[N+](=O)[O-])c2c(c(-c3ccccc3)n[nH]c2=O)N1
InChIInChI=1S/C19H14N4O4/c24-15-10-13(12-8-4-5-9-14(12)23(26)27)16-18(20-15)17(21-22-19(16)25)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,20,24)(H,22,25)
InChIKeyQWSBYVXNUUJPQN-UHFFFAOYSA-N
XLogP2.82
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione 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

(5S)-5-(2-nitrophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222389
(4R)-4-(2-nitrophenyl)-3,5-diphenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1122790
6-phenyl-4,5-diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaen-3-one
CID 24751534
(4S)-4-(2-nitrophenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
CID 7090616
2-(3,5-dimethylpiperidin-1-yl)-5-(2-nitrophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637801
2-phenoxyethyl (4R)-6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7412541
6-(2-nitrophenyl)-1,3-diazinane-2,4-dione
CID 3883733
(8S)-10-(4-bromophenyl)-8-(2-nitrophenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 137157624
(8R)-10-(4-bromophenyl)-8-(2-nitrophenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 137157623
cyclooctyl (4R)-6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7412596
cycloheptyl (4S)-6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7412704
(8R)-10-(4-methoxyphenyl)-8-(2-nitrophenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10-tetraen-13-one
CID 137076082

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione?
The IUPAC name of 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione (CID 10737340) is 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione.
What is the SMILES notation for 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione?
The canonical SMILES for 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione is O=C1CC(c2ccccc2[N+](=O)[O-])c2c(c(-c3ccccc3)n[nH]c2=O)N1.
What is the InChIKey of 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione?
The InChIKey is QWSBYVXNUUJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-15-10-13(12-8-4-5-9-14(12)23(26)27)16-18(20-15)17(21-22-19(16)25)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,20,24)(H,22,25).
What are the key properties of 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione?
4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione has a molecular weight of 362.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-8-phenyl-1,3,4,6-tetrahydropyrido[2,3-d]pyridazine-2,5-dione is sourced from PubChem (CID 10737340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).