2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid

C16H16N2O3 — CID 10334062

IUPAC2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid
SMILESCc1cc(C)c2c(c1)-c1nn(CC(=O)O)c(=O)cc1CC2
InChIInChI=1S/C16H16N2O3/c1-9-5-10(2)12-4-3-11-7-14(19)18(8-15(20)21)17-16(11)13(12)6-9/h5-7H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyJOIFQSDUHREDEQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.71
Rot. Bonds2

About 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid

2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid (PubChem CID 10334062) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid
PubChem CID10334062
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid
SMILESCc1cc(C)c2c(c1)-c1nn(CC(=O)O)c(=O)cc1CC2
InChIInChI=1S/C16H16N2O3/c1-9-5-10(2)12-4-3-11-7-14(19)18(8-15(20)21)17-16(11)13(12)6-9/h5-7H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyJOIFQSDUHREDEQ-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
The IUPAC name of 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid (CID 10334062) is 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid.
What is the SMILES notation for 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
The canonical SMILES for 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid is Cc1cc(C)c2c(c1)-c1nn(CC(=O)O)c(=O)cc1CC2.
What is the InChIKey of 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
The InChIKey is JOIFQSDUHREDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-5-10(2)12-4-3-11-7-14(19)18(8-15(20)21)17-16(11)13(12)6-9/h5-7H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid?
2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid has a molecular weight of 284.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-dimethyl-3-oxo-5,6-dihydrobenzo[h]cinnolin-2-yl)acetic acid is sourced from PubChem (CID 10334062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).