2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid

C16H16N2O5 — CID 10757760

IUPAC2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid
SMILESCOc1cc2c(cc1OC)-c1nn(CC(=O)O)c(=O)cc1CC2
InChIInChI=1S/C16H16N2O5/c1-22-12-5-9-3-4-10-6-14(19)18(8-15(20)21)17-16(10)11(9)7-13(12)23-2/h5-7H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyQQCVAGNAVPCWPM-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.11
Rot. Bonds4

About 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid

2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid (PubChem CID 10757760) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid
PubChem CID10757760
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid
SMILESCOc1cc2c(cc1OC)-c1nn(CC(=O)O)c(=O)cc1CC2
InChIInChI=1S/C16H16N2O5/c1-22-12-5-9-3-4-10-6-14(19)18(8-15(20)21)17-16(10)11(9)7-13(12)23-2/h5-7H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyQQCVAGNAVPCWPM-UHFFFAOYSA-N
XLogP1.11
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
The IUPAC name of 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid (CID 10757760) is 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid.
What is the SMILES notation for 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
The canonical SMILES for 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid is COc1cc2c(cc1OC)-c1nn(CC(=O)O)c(=O)cc1CC2.
What is the InChIKey of 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
The InChIKey is QQCVAGNAVPCWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-22-12-5-9-3-4-10-6-14(19)18(8-15(20)21)17-16(10)11(9)7-13(12)23-2/h5-7H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid has a molecular weight of 316.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,9-dimethoxy-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid is sourced from PubChem (CID 10757760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).