2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide

C21H15N5O4 — CID 24531731

IUPAC2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C21H15N5O4/c27-18(24-25-19(28)16-8-4-5-11-22-16)13-9-10-15-17(12-13)23-21(30)26(20(15)29)14-6-2-1-3-7-14/h1-12H,(H,23,30)(H,24,27)(H,25,28)
InChIKeySTBWTKOQNNWPDV-UHFFFAOYSA-N
MW401.38 g/mol
LogP1.15
Rot. Bonds3

About 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide

2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide (PubChem CID 24531731) has the molecular formula C21H15N5O4 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
PubChem CID24531731
Molecular FormulaC21H15N5O4
Molecular Weight401.38 g/mol
Exact Mass401.11
IUPAC Name2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C21H15N5O4/c27-18(24-25-19(28)16-8-4-5-11-22-16)13-9-10-15-17(12-13)23-21(30)26(20(15)29)14-6-2-1-3-7-14/h1-12H,(H,23,30)(H,24,27)(H,25,28)
InChIKeySTBWTKOQNNWPDV-UHFFFAOYSA-N
XLogP1.15
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide?
The IUPAC name of 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide (CID 24531731) is 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide is O=C(NNC(=O)c1ccccn1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide?
The InChIKey is STBWTKOQNNWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O4/c27-18(24-25-19(28)16-8-4-5-11-22-16)13-9-10-15-17(12-13)23-21(30)26(20(15)29)14-6-2-1-3-7-14/h1-12H,(H,23,30)(H,24,27)(H,25,28).
What are the key properties of 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide?
2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide has a molecular weight of 401.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide is sourced from PubChem (CID 24531731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).