2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid

C14H16N2O5 — CID 135443739

IUPAC2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid
SMILESCCOc1cc2nc(CC(=O)O)[nH]c(=O)c2cc1OCC
InChIInChI=1S/C14H16N2O5/c1-3-20-10-5-8-9(6-11(10)21-4-2)15-12(7-13(17)18)16-14(8)19/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H,15,16,19)
InChIKeyJERADYXGYPVKIP-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.35
Rot. Bonds6

About 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid

2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid (PubChem CID 135443739) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid
PubChem CID135443739
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid
SMILESCCOc1cc2nc(CC(=O)O)[nH]c(=O)c2cc1OCC
InChIInChI=1S/C14H16N2O5/c1-3-20-10-5-8-9(6-11(10)21-4-2)15-12(7-13(17)18)16-14(8)19/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H,15,16,19)
InChIKeyJERADYXGYPVKIP-UHFFFAOYSA-N
XLogP1.35
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid?
The IUPAC name of 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid (CID 135443739) is 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid.
What is the SMILES notation for 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid?
The canonical SMILES for 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid is CCOc1cc2nc(CC(=O)O)[nH]c(=O)c2cc1OCC.
What is the InChIKey of 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid?
The InChIKey is JERADYXGYPVKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-3-20-10-5-8-9(6-11(10)21-4-2)15-12(7-13(17)18)16-14(8)19/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H,15,16,19).
What are the key properties of 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid?
2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid has a molecular weight of 292.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid is sourced from PubChem (CID 135443739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).