4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid

C15H16N2O5 — CID 4962768

IUPAC4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
SMILESCOCCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)O
InChIInChI=1S/C15H16N2O5/c1-22-9-8-16-13(19)10-4-2-3-5-11(10)17-12(18)6-7-15(16,17)14(20)21/h2-5H,6-9H2,1H3,(H,20,21)
InChIKeyARJDRISVIVWBQI-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.70
Rot. Bonds4

About 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid

4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid (PubChem CID 4962768) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
PubChem CID4962768
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
SMILESCOCCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)O
InChIInChI=1S/C15H16N2O5/c1-22-9-8-16-13(19)10-4-2-3-5-11(10)17-12(18)6-7-15(16,17)14(20)21/h2-5H,6-9H2,1H3,(H,20,21)
InChIKeyARJDRISVIVWBQI-UHFFFAOYSA-N
XLogP0.70
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
The IUPAC name of 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid (CID 4962768) is 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid is COCCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)O.
What is the InChIKey of 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
The InChIKey is ARJDRISVIVWBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-22-9-8-16-13(19)10-4-2-3-5-11(10)17-12(18)6-7-15(16,17)14(20)21/h2-5H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid?
4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid has a molecular weight of 304.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid is sourced from PubChem (CID 4962768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).