(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one

C18H16N4O2 — CID 135747058

IUPAC(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2n1CCC/C2=N/Nc1ccc(O)cc1
InChIInChI=1S/C18H16N4O2/c23-13-9-7-12(8-10-13)20-21-16-6-3-11-22-17(16)19-15-5-2-1-4-14(15)18(22)24/h1-2,4-5,7-10,20,23H,3,6,11H2/b21-16-
InChIKeyKFFUVABINRUXOX-PGMHBOJBSA-N
MW320.35 g/mol
LogP2.71
Rot. Bonds2

About (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one

(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 135747058) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
PubChem CID135747058
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2n1CCC/C2=N/Nc1ccc(O)cc1
InChIInChI=1S/C18H16N4O2/c23-13-9-7-12(8-10-13)20-21-16-6-3-11-22-17(16)19-15-5-2-1-4-14(15)18(22)24/h1-2,4-5,7-10,20,23H,3,6,11H2/b21-16-
InChIKeyKFFUVABINRUXOX-PGMHBOJBSA-N
XLogP2.71
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

(6E)-6-[(4-phenylphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 13381237
(4E)-4-(phenylhydrazinylidene)-13,15-dioxa-2,8-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,10,12(16)-tetraen-9-one
CID 13381249
ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate
CID 13381246
8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
(1E)-1-[(4-fluorophenyl)hydrazinylidene]-3,4-dihydro-[1,4]oxazino[3,4-b]quinazolin-6-one
CID 134114693
6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid
CID 70533513
3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 604015
6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 136734737
1-(benzylamino)-3,4-dihydropyrazino[2,1-b]quinazolin-6-one
CID 101433684
(1E)-1-hydroxyimino-11-phenyl-3,4-dihydro-2H-benzo[b]quinolizin-6-one
CID 59305257
3,4-dihydro-2H-[1,3]oxazino[2,3-b]quinazolin-6-one
CID 13381483
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one (CID 135747058) is (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one is O=c1c2ccccc2nc2n1CCC/C2=N/Nc1ccc(O)cc1.
What is the InChIKey of (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is KFFUVABINRUXOX-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-13-9-7-12(8-10-13)20-21-16-6-3-11-22-17(16)19-15-5-2-1-4-14(15)18(22)24/h1-2,4-5,7-10,20,23H,3,6,11H2/b21-16-.
What are the key properties of (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one?
(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 320.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 135747058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).