8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione

C14H15N3O3 — CID 156548269

IUPAC8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione
SMILESCOC1(C)C(=O)N(C)c2cc3c(=O)[nH]c(C)nc3cc21
InChIInChI=1S/C14H15N3O3/c1-7-15-10-6-9-11(5-8(10)12(18)16-7)17(3)13(19)14(9,2)20-4/h5-6H,1-4H3,(H,15,16,18)
InChIKeyCPOGRHBYALHRAS-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.07
Rot. Bonds1

About 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione

8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione (PubChem CID 156548269) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione.

Molecular Properties

Compound Name8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione
PubChem CID156548269
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione
SMILESCOC1(C)C(=O)N(C)c2cc3c(=O)[nH]c(C)nc3cc21
InChIInChI=1S/C14H15N3O3/c1-7-15-10-6-9-11(5-8(10)12(18)16-7)17(3)13(19)14(9,2)20-4/h5-6H,1-4H3,(H,15,16,18)
InChIKeyCPOGRHBYALHRAS-UHFFFAOYSA-N
XLogP1.07
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione?
The IUPAC name of 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione (CID 156548269) is 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione.
What is the SMILES notation for 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione?
The canonical SMILES for 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione is COC1(C)C(=O)N(C)c2cc3c(=O)[nH]c(C)nc3cc21.
What is the InChIKey of 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione?
The InChIKey is CPOGRHBYALHRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-7-15-10-6-9-11(5-8(10)12(18)16-7)17(3)13(19)14(9,2)20-4/h5-6H,1-4H3,(H,15,16,18).
What are the key properties of 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione?
8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione has a molecular weight of 273.29 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,6,8-trimethyl-3H-pyrrolo[2,3-g]quinazoline-4,7-dione is sourced from PubChem (CID 156548269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).