N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide

C20H21N5O3S — CID 162643455

IUPACN'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
InChIInChI=1S/C20H21N5O3S/c1-2-17(26)23-24-18(27)13-29-20-22-16-9-4-3-8-15(16)19(28)25(20)12-10-14-7-5-6-11-21-14/h3-9,11H,2,10,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyKBOORFVZFYBCNP-UHFFFAOYSA-N
MW411.49 g/mol
LogP1.68
Rot. Bonds7

About N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide

N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide (PubChem CID 162643455) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide
PubChem CID162643455
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC NameN'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
InChIInChI=1S/C20H21N5O3S/c1-2-17(26)23-24-18(27)13-29-20-22-16-9-4-3-8-15(16)19(28)25(20)12-10-14-7-5-6-11-21-14/h3-9,11H,2,10,12-13H2,1H3,(H,23,26)(H,24,27)
InChIKeyKBOORFVZFYBCNP-UHFFFAOYSA-N
XLogP1.68
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide 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'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide?
The IUPAC name of N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide (CID 162643455) is N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide.
What is the SMILES notation for N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide?
The canonical SMILES for N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide is CCC(=O)NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1.
What is the InChIKey of N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide?
The InChIKey is KBOORFVZFYBCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-2-17(26)23-24-18(27)13-29-20-22-16-9-4-3-8-15(16)19(28)25(20)12-10-14-7-5-6-11-21-14/h3-9,11H,2,10,12-13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide?
N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide has a molecular weight of 411.49 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-oxo-3-(2-pyridin-2-ylethyl)quinazolin-2-yl]sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 162643455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).