3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one

C19H14N4OS — CID 6074627

IUPAC3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C\c2cccs2)n1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c24-18-16-10-4-5-11-17(16)21-19(22-20-13-15-9-6-12-25-15)23(18)14-7-2-1-3-8-14/h1-13H,(H,21,22)/b20-13-
InChIKeyHKEDGCBSOXDDEM-MOSHPQCFSA-N
MW346.42 g/mol
LogP3.89
Rot. Bonds4

About 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one

3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one (PubChem CID 6074627) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
PubChem CID6074627
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C\c2cccs2)n1-c1ccccc1
InChIInChI=1S/C19H14N4OS/c24-18-16-10-4-5-11-17(16)21-19(22-20-13-15-9-6-12-25-15)23(18)14-7-2-1-3-8-14/h1-13H,(H,21,22)/b20-13-
InChIKeyHKEDGCBSOXDDEM-MOSHPQCFSA-N
XLogP3.89
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
2-[2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 3640022
3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
CID 7822082
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6511521
3-(3-methylphenyl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 16720961
2-[(2E)-2-benzylidenehydrazinyl]-3-(2-methylphenyl)quinazolin-4-one
CID 24874427
3-(4-methylphenyl)-2-(2-thiophen-2-ylethenyl)quinazolin-4-one
CID 15999428
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
2-[(2Z)-2-[1-(2-methoxyphenyl)ethylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6070250
3-hydroxy-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]quinazolin-4-one
CID 4911064
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 1383245

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one (CID 6074627) is 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one is O=c1c2ccccc2nc(N/N=C\c2cccs2)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one?
The InChIKey is HKEDGCBSOXDDEM-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18-16-10-4-5-11-17(16)21-19(22-20-13-15-9-6-12-25-15)23(18)14-7-2-1-3-8-14/h1-13H,(H,21,22)/b20-13-.
What are the key properties of 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one?
3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one has a molecular weight of 346.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 6074627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).