ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate

C15H13N3O4 — CID 13060569

IUPACethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c3ccccc3n(C)c(=O)n2c1=O
InChIInChI=1S/C15H13N3O4/c1-3-22-14(20)10-8-16-12-9-6-4-5-7-11(9)17(2)15(21)18(12)13(10)19/h4-8H,3H2,1-2H3
InChIKeySOLAHOLKWWBZGE-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.72
Rot. Bonds2

About ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate

ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate (PubChem CID 13060569) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
PubChem CID13060569
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Nameethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c3ccccc3n(C)c(=O)n2c1=O
InChIInChI=1S/C15H13N3O4/c1-3-22-14(20)10-8-16-12-9-6-4-5-7-11(9)17(2)15(21)18(12)13(10)19/h4-8H,3H2,1-2H3
InChIKeySOLAHOLKWWBZGE-UHFFFAOYSA-N
XLogP0.72
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-methylpyrazino[2,3-b]indole-3-carboxylate
CID 177421986
ethyl 5-oxo-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,7,9,11,13,15-heptaene-4-carboxylate
CID 165352312
ethyl 10-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 53483485
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23826495
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216656
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
CID 24792645
ethyl 2-(azepan-1-yl)-9-methylcarbazole-3-carboxylate
CID 43841999
ethyl 8-methyl-7-oxo-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-5-carboxylate
CID 14460551

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate (CID 13060569) is ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate is CCOC(=O)c1cnc2c3ccccc3n(C)c(=O)n2c1=O.
What is the InChIKey of ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate?
The InChIKey is SOLAHOLKWWBZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-3-22-14(20)10-8-16-12-9-6-4-5-7-11(9)17(2)15(21)18(12)13(10)19/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate?
ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate is sourced from PubChem (CID 13060569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).