ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate

C19H20N4O4 — CID 15048383

IUPACethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C(C)CC/C2=N\N=C\c1cccc(O)c1
InChIInChI=1S/C19H20N4O4/c1-3-27-19(26)15-11-20-17-16(8-7-12(2)23(17)18(15)25)22-21-10-13-5-4-6-14(24)9-13/h4-6,9-12,24H,3,7-8H2,1-2H3/b21-10+,22-16+
InChIKeyLPGZHMBMYUHKLM-RQALOGEDSA-N
MW368.39 g/mol
LogP2.30
Rot. Bonds4

About ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate

ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 15048383) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID15048383
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnc2n(c1=O)C(C)CC/C2=N\N=C\c1cccc(O)c1
InChIInChI=1S/C19H20N4O4/c1-3-27-19(26)15-11-20-17-16(8-7-12(2)23(17)18(15)25)22-21-10-13-5-4-6-14(24)9-13/h4-6,9-12,24H,3,7-8H2,1-2H3/b21-10+,22-16+
InChIKeyLPGZHMBMYUHKLM-RQALOGEDSA-N
XLogP2.30
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (CID 15048383) is ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnc2n(c1=O)C(C)CC/C2=N\N=C\c1cccc(O)c1.
What is the InChIKey of ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is LPGZHMBMYUHKLM-RQALOGEDSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-3-27-19(26)15-11-20-17-16(8-7-12(2)23(17)18(15)25)22-21-10-13-5-4-6-14(24)9-13/h4-6,9-12,24H,3,7-8H2,1-2H3/b21-10+,22-16+.
What are the key properties of ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9E)-9-[(E)-(3-hydroxyphenyl)methylidenehydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 15048383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).