3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one

C23H15N3O2 — CID 5297420

IUPAC3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one
SMILESO=c1c2ccccc2nc2cc(-c3ccc(O)cc3)c(-c3ccccc3)nn12
InChIInChI=1S/C23H15N3O2/c27-17-12-10-15(11-13-17)19-14-21-24-20-9-5-4-8-18(20)23(28)26(21)25-22(19)16-6-2-1-3-7-16/h1-14,27H
InChIKeyANVHWJDBJKNENN-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.28
Rot. Bonds2

About 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one

3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one (PubChem CID 5297420) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one
PubChem CID5297420
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one
SMILESO=c1c2ccccc2nc2cc(-c3ccc(O)cc3)c(-c3ccccc3)nn12
InChIInChI=1S/C23H15N3O2/c27-17-12-10-15(11-13-17)19-14-21-24-20-9-5-4-8-18(20)23(28)26(21)25-22(19)16-6-2-1-3-7-16/h1-14,27H
InChIKeyANVHWJDBJKNENN-UHFFFAOYSA-N
XLogP4.28
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135471354
3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5909322
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
2-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 135567246
3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
CID 135433285
3-(2-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708942
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
3-(2-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4(3H)-one
CID 135648109
3-(3-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708940
2-(2-hydroxyphenyl)-3-phenethylquinazolin-4(3H)-one
CID 135418418

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one (CID 5297420) is 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one is O=c1c2ccccc2nc2cc(-c3ccc(O)cc3)c(-c3ccccc3)nn12.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one?
The InChIKey is ANVHWJDBJKNENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/c27-17-12-10-15(11-13-17)19-14-21-24-20-9-5-4-8-18(20)23(28)26(21)25-22(19)16-6-2-1-3-7-16/h1-14,27H.
What are the key properties of 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one?
3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one has a molecular weight of 365.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-phenylpyridazino[6,1-b]quinazolin-10-one is sourced from PubChem (CID 5297420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).