6-chloro-7-methoxy-1H-cinnolin-4-one

C9H7ClN2O2 — CID 157040708

IUPAC6-chloro-7-methoxy-1H-cinnolin-4-one
SMILESCOc1cc2[nH]ncc(=O)c2cc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-9-3-7-5(2-6(9)10)8(13)4-11-12-7/h2-4H,1H3,(H,12,13)
InChIKeyRARJCPQLNXCGEF-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.59
Rot. Bonds1

About 6-chloro-7-methoxy-1H-cinnolin-4-one

6-chloro-7-methoxy-1H-cinnolin-4-one (PubChem CID 157040708) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-7-methoxy-1H-cinnolin-4-one.

Molecular Properties

Compound Name6-chloro-7-methoxy-1H-cinnolin-4-one
PubChem CID157040708
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name6-chloro-7-methoxy-1H-cinnolin-4-one
SMILESCOc1cc2[nH]ncc(=O)c2cc1Cl
InChIInChI=1S/C9H7ClN2O2/c1-14-9-3-7-5(2-6(9)10)8(13)4-11-12-7/h2-4H,1H3,(H,12,13)
InChIKeyRARJCPQLNXCGEF-UHFFFAOYSA-N
XLogP1.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methoxy-1H-cinnolin-4-one?
The IUPAC name of 6-chloro-7-methoxy-1H-cinnolin-4-one (CID 157040708) is 6-chloro-7-methoxy-1H-cinnolin-4-one.
What is the SMILES notation for 6-chloro-7-methoxy-1H-cinnolin-4-one?
The canonical SMILES for 6-chloro-7-methoxy-1H-cinnolin-4-one is COc1cc2[nH]ncc(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-7-methoxy-1H-cinnolin-4-one?
The InChIKey is RARJCPQLNXCGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9-3-7-5(2-6(9)10)8(13)4-11-12-7/h2-4H,1H3,(H,12,13).
What are the key properties of 6-chloro-7-methoxy-1H-cinnolin-4-one?
6-chloro-7-methoxy-1H-cinnolin-4-one has a molecular weight of 210.62 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-1H-cinnolin-4-one is sourced from PubChem (CID 157040708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).