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

C18H16N4O2 — CID 135472755

IUPAC2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(N/N=C/c2ccc(O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N4O2/c1-2-11-22-17(24)15-5-3-4-6-16(15)20-18(22)21-19-12-13-7-9-14(23)10-8-13/h2-10,12,23H,1,11H2,(H,20,21)/b19-12+
InChIKeyLEDHKHXTGQUQCZ-XDHOZWIPSA-N
MW320.35 g/mol
LogP2.73
Rot. Bonds5

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

2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one (PubChem CID 135472755) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
PubChem CID135472755
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1c(N/N=C/c2ccc(O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C18H16N4O2/c1-2-11-22-17(24)15-5-3-4-6-16(15)20-18(22)21-19-12-13-7-9-14(23)10-8-13/h2-10,12,23H,1,11H2,(H,20,21)/b19-12+
InChIKeyLEDHKHXTGQUQCZ-XDHOZWIPSA-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_B(215)', '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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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one (CID 135472755) is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one is C=CCn1c(N/N=C/c2ccc(O)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
The InChIKey is LEDHKHXTGQUQCZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-11-22-17(24)15-5-3-4-6-16(15)20-18(22)21-19-12-13-7-9-14(23)10-8-13/h2-10,12,23H,1,11H2,(H,20,21)/b19-12+.
What are the key properties of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one?
2-[(2E)-2-[(4-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-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-prop-2-enylquinazolin-4-one is sourced from PubChem (CID 135472755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).