ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate

C21H20N4O3 — CID 13381246

IUPACethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)n3c(nc2c1)/C(=N/Nc1ccccc1)CCC3
InChIInChI=1S/C21H20N4O3/c1-2-28-21(27)14-10-11-16-18(13-14)22-19-17(9-6-12-25(19)20(16)26)24-23-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,23H,2,6,9,12H2,1H3/b24-17+
InChIKeyKLQYTQZWVNIARL-JJIBRWJFSA-N
MW376.42 g/mol
LogP3.18
Rot. Bonds4

About ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate

ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate (PubChem CID 13381246) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate
PubChem CID13381246
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Nameethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)n3c(nc2c1)/C(=N/Nc1ccccc1)CCC3
InChIInChI=1S/C21H20N4O3/c1-2-28-21(27)14-10-11-16-18(13-14)22-19-17(9-6-12-25(19)20(16)26)24-23-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,23H,2,6,9,12H2,1H3/b24-17+
InChIKeyKLQYTQZWVNIARL-JJIBRWJFSA-N
XLogP3.18
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(6Z)-6-[(4-hydroxyphenyl)hydrazinylidene]-8,9-dihydro-7H-pyrido[2,1-b]quinazolin-11-one
CID 135747058
ethyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate;hydrochloride
CID 13171282
(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
(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 18774879
(2-methylphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525977
(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 27717310
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2539361
6-hydrazinylidene-11-oxo-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-2-carboxylic acid
CID 70533513
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 8525982
2-methylpropyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 9362949

Frequently Asked Questions

What is the IUPAC name of ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate?
The IUPAC name of ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate (CID 13381246) is ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate?
The canonical SMILES for ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate is CCOC(=O)c1ccc2c(=O)n3c(nc2c1)/C(=N/Nc1ccccc1)CCC3.
What is the InChIKey of ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate?
The InChIKey is KLQYTQZWVNIARL-JJIBRWJFSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-28-21(27)14-10-11-16-18(13-14)22-19-17(9-6-12-25(19)20(16)26)24-23-15-7-4-3-5-8-15/h3-5,7-8,10-11,13,23H,2,6,9,12H2,1H3/b24-17+.
What are the key properties of ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate?
ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6E)-11-oxo-6-(phenylhydrazinylidene)-8,9-dihydro-7H-pyrido[2,1-b]quinazoline-3-carboxylate is sourced from PubChem (CID 13381246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).