N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide

C17H17N5O2 — CID 134001910

IUPACN'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2cccc(C)n2)nc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-3-22-16(24)12-8-4-5-9-13(12)19-17(22)21-20-15(23)14-10-6-7-11(2)18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyDNCVVIXQXQKKPP-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.88
Rot. Bonds4

About N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide

N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide (PubChem CID 134001910) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
PubChem CID134001910
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2cccc(C)n2)nc2ccccc2c1=O
InChIInChI=1S/C17H17N5O2/c1-3-22-16(24)12-8-4-5-9-13(12)19-17(22)21-20-15(23)14-10-6-7-11(2)18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyDNCVVIXQXQKKPP-UHFFFAOYSA-N
XLogP1.88
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-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 N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide?
The IUPAC name of N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide (CID 134001910) is N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide.
What is the SMILES notation for N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide?
The canonical SMILES for N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide is CCn1c(NNC(=O)c2cccc(C)n2)nc2ccccc2c1=O.
What is the InChIKey of N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide?
The InChIKey is DNCVVIXQXQKKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-22-16(24)12-8-4-5-9-13(12)19-17(22)21-20-15(23)14-10-6-7-11(2)18-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide?
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide has a molecular weight of 323.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide is sourced from PubChem (CID 134001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).