2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one

C18H16N4O2 — CID 4672416

IUPAC2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(NN=Cc2ccccc2O)nc2ccccc2c1=O
InChIInChI=1S/C18H16N4O2/c1-2-11-22-17(24)14-8-4-5-9-15(14)20-18(22)21-19-12-13-7-3-6-10-16(13)23/h2-10,12,23H,1,11H2,(H,20,21)
InChIKeyVNGQSOBOJTUTIY-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one

2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one (PubChem CID 4672416) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
PubChem CID4672416
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(NN=Cc2ccccc2O)nc2ccccc2c1=O
InChIInChI=1S/C18H16N4O2/c1-2-11-22-17(24)14-8-4-5-9-15(14)20-18(22)21-19-12-13-7-3-6-10-16(13)23/h2-10,12,23H,1,11H2,(H,20,21)
InChIKeyVNGQSOBOJTUTIY-UHFFFAOYSA-N
XLogP2.73
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.73
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-ethylquinazolin-4-one
CID 135729404
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-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068
3-ethyl-2-[(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 135729407
2-[(2Z)-2-[(2-methylphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6513719
2-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-(3-methoxypropyl)quinazolin-4-one
CID 135800428
7-benzyl-8-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 136911299
2-ethyl-3-prop-2-enylquinazolin-4-one
CID 154543894
3-(3-methoxypropyl)-2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 9299243
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 1383245
1-benzyl-8-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-3,7-dimethylpurine-2,6-dione
CID 135949622

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
The IUPAC name of 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one (CID 4672416) is 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one.
What is the SMILES notation for 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
The canonical SMILES for 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one is C=CCn1c(NN=Cc2ccccc2O)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
The InChIKey is VNGQSOBOJTUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-11-22-17(24)14-8-4-5-9-15(14)20-18(22)21-19-12-13-7-3-6-10-16(13)23/h2-10,12,23H,1,11H2,(H,20,21).
What are the key properties of 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one is sourced from PubChem (CID 4672416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).