2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one

C17H15ClN4O2 — CID 135729404

IUPAC2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(N/N=C/c2cc(Cl)ccc2O)nc2ccccc2c1=O
InChIInChI=1S/C17H15ClN4O2/c1-2-22-16(24)13-5-3-4-6-14(13)20-17(22)21-19-10-11-9-12(18)7-8-15(11)23/h3-10,23H,2H2,1H3,(H,20,21)/b19-10+
InChIKeyZNJJQHYDXNWYFB-VXLYETTFSA-N
MW342.79 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one

2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one (PubChem CID 135729404) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
PubChem CID135729404
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
SMILESCCn1c(N/N=C/c2cc(Cl)ccc2O)nc2ccccc2c1=O
InChIInChI=1S/C17H15ClN4O2/c1-2-22-16(24)13-5-3-4-6-14(13)20-17(22)21-19-10-11-9-12(18)7-8-15(11)23/h3-10,23H,2H2,1H3,(H,20,21)/b19-10+
InChIKeyZNJJQHYDXNWYFB-VXLYETTFSA-N
XLogP3.22
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
CID 4672416
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983439
2-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 8983579
3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625621
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428
3-ethyl-2-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]quinazolin-4-one
CID 8983430
3-ethyl-2-[(2E)-2-[(2-phenyl-1H-indol-3-yl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729400
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
3-ethyl-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]quinazolin-4-one
CID 11728249
2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one (CID 135729404) is 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one is CCn1c(N/N=C/c2cc(Cl)ccc2O)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one?
The InChIKey is ZNJJQHYDXNWYFB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-2-22-16(24)13-5-3-4-6-14(13)20-17(22)21-19-10-11-9-12(18)7-8-15(11)23/h3-10,23H,2H2,1H3,(H,20,21)/b19-10+.
What are the key properties of 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one?
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one has a molecular weight of 342.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 135729404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).