6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid

C13H12N4O3 — CID 70533513

IUPAC6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid
SMILESNN=C1CCCn2c1nc1ccc(C(=O)O)cc1c2=O
InChIInChI=1S/C13H12N4O3/c14-16-10-2-1-5-17-11(10)15-9-4-3-7(13(19)20)6-8(9)12(17)18/h3-4,6H,1-2,5,14H2,(H,19,20)
InChIKeyQOTZOTLWSJNVOS-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.55
Rot. Bonds1

About 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid

6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid (PubChem CID 70533513) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid
PubChem CID70533513
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid
SMILESNN=C1CCCn2c1nc1ccc(C(=O)O)cc1c2=O
InChIInChI=1S/C13H12N4O3/c14-16-10-2-1-5-17-11(10)15-9-4-3-7(13(19)20)6-8(9)12(17)18/h3-4,6H,1-2,5,14H2,(H,19,20)
InChIKeyQOTZOTLWSJNVOS-UHFFFAOYSA-N
XLogP0.55
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate
CID 13381246
methyl 6-benzylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylate
CID 150983281
(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
(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 135747058
8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
(6E)-6-[(4-phenylphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 13381237
3-amino-4-(2-hydroxyethyl)-14-methyl-4,5,10,18-tetrazatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),2,5,12(17),13,15-hexaen-11-one
CID 3436162
(6E)-2-fluoro-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 163214386
(3E)-3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 6184592
9-oxo-3-[(4-phenylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 3518373
(3E)-3-[(5-bromo-2-fluorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 29423368

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid?
The IUPAC name of 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid (CID 70533513) is 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid is NN=C1CCCn2c1nc1ccc(C(=O)O)cc1c2=O.
What is the InChIKey of 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid?
The InChIKey is QOTZOTLWSJNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-16-10-2-1-5-17-11(10)15-9-4-3-7(13(19)20)6-8(9)12(17)18/h3-4,6H,1-2,5,14H2,(H,19,20).
What are the key properties of 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid?
6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 70533513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).