dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate

C19H18N2O5 — CID 101333309

IUPACdimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C=CC(C)=CC2N(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O5/c1-12-9-10-20-14(11-12)21(13-7-5-4-6-8-13)17(22)15(18(23)25-2)16(20)19(24)26-3/h4-11,14H,1-3H3
InChIKeyUEWVXIDGVMANDC-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.74
Rot. Bonds3

About dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate

dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate (PubChem CID 101333309) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate
PubChem CID101333309
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namedimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C=CC(C)=CC2N(c2ccccc2)C1=O
InChIInChI=1S/C19H18N2O5/c1-12-9-10-20-14(11-12)21(13-7-5-4-6-8-13)17(22)15(18(23)25-2)16(20)19(24)26-3/h4-11,14H,1-3H3
InChIKeyUEWVXIDGVMANDC-UHFFFAOYSA-N
XLogP1.74
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 1-(4-bromophenyl)-6-oxo-3-phenyl-2-[(E)-2-phenylethenyl]-2H-pyrimidine-4,5-dicarboxylate
CID 102336850
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
methyl (2R)-1-(4-chlorophenyl)-2,3-dimethyl-2H-azete-4-carboxylate
CID 158572071
tetramethyl 6-phenyl-9aH-quinolizine-1,2,3,4-tetracarboxylate
CID 11841585
dimethyl 1-(3-fluorophenyl)-4,5-dioxopyrrole-2,3-dicarboxylate
CID 135053235
tetramethyl 6,7-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylate
CID 102437174
tetramethyl (9aS)-7,9-dimethyl-9aH-quinolizine-1,2,3,4-tetracarboxylate
CID 7309333
methyl (4Z)-4-[(2-ethoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate
CID 126006356
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
ethyl 4-(hydroxyamino)-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 4996263
methyl (6S)-7-(1,3-dioxoisoindol-2-yl)-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 70503727
methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 22769956

Frequently Asked Questions

What is the IUPAC name of dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate?
The IUPAC name of dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate (CID 101333309) is dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)N2C=CC(C)=CC2N(c2ccccc2)C1=O.
What is the InChIKey of dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate?
The InChIKey is UEWVXIDGVMANDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-9-10-20-14(11-12)21(13-7-5-4-6-8-13)17(22)15(18(23)25-2)16(20)19(24)26-3/h4-11,14H,1-3H3.
What are the key properties of dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate?
dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate has a molecular weight of 354.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8-methyl-2-oxo-1-phenyl-9aH-pyrido[1,2-a]pyrimidine-3,4-dicarboxylate is sourced from PubChem (CID 101333309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).