ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate

C15H17N3O3 — CID 54613663

IUPACethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate
SMILESCCOC(=O)c1c2c(c(C)n1C)-c1[nH]c(=O)ncc1CC2
InChIInChI=1S/C15H17N3O3/c1-4-21-14(19)13-10-6-5-9-7-16-15(20)17-12(9)11(10)8(2)18(13)3/h7H,4-6H2,1-3H3,(H,16,17,20)
InChIKeyMFAGWDWLMXXKSD-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.36
Rot. Bonds2

About ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate

ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate (PubChem CID 54613663) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate
PubChem CID54613663
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate
SMILESCCOC(=O)c1c2c(c(C)n1C)-c1[nH]c(=O)ncc1CC2
InChIInChI=1S/C15H17N3O3/c1-4-21-14(19)13-10-6-5-9-7-16-15(20)17-12(9)11(10)8(2)18(13)3/h7H,4-6H2,1-3H3,(H,16,17,20)
InChIKeyMFAGWDWLMXXKSD-UHFFFAOYSA-N
XLogP1.36
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate?
The IUPAC name of ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate (CID 54613663) is ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate.
What is the SMILES notation for ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate?
The canonical SMILES for ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate is CCOC(=O)c1c2c(c(C)n1C)-c1[nH]c(=O)ncc1CC2.
What is the InChIKey of ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate?
The InChIKey is MFAGWDWLMXXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-4-21-14(19)13-10-6-5-9-7-16-15(20)17-12(9)11(10)8(2)18(13)3/h7H,4-6H2,1-3H3,(H,16,17,20).
What are the key properties of ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate?
ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate is sourced from PubChem (CID 54613663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).