6,7-dimethoxy-3-methyl-4-phenoxycinnoline

C17H16N2O3 — CID 134914755

IUPAC6,7-dimethoxy-3-methyl-4-phenoxycinnoline
SMILESCOc1cc2nnc(C)c(Oc3ccccc3)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-11-17(22-12-7-5-4-6-8-12)13-9-15(20-2)16(21-3)10-14(13)19-18-11/h4-10H,1-3H3
InChIKeyLJKAPAWWABQIGX-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.75
Rot. Bonds4

About 6,7-dimethoxy-3-methyl-4-phenoxycinnoline

6,7-dimethoxy-3-methyl-4-phenoxycinnoline (PubChem CID 134914755) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methyl-4-phenoxycinnoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-methyl-4-phenoxycinnoline
PubChem CID134914755
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name6,7-dimethoxy-3-methyl-4-phenoxycinnoline
SMILESCOc1cc2nnc(C)c(Oc3ccccc3)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-11-17(22-12-7-5-4-6-8-12)13-9-15(20-2)16(21-3)10-14(13)19-18-11/h4-10H,1-3H3
InChIKeyLJKAPAWWABQIGX-UHFFFAOYSA-N
XLogP3.75
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-methyl-4-phenoxycinnoline?
The IUPAC name of 6,7-dimethoxy-3-methyl-4-phenoxycinnoline (CID 134914755) is 6,7-dimethoxy-3-methyl-4-phenoxycinnoline.
What is the SMILES notation for 6,7-dimethoxy-3-methyl-4-phenoxycinnoline?
The canonical SMILES for 6,7-dimethoxy-3-methyl-4-phenoxycinnoline is COc1cc2nnc(C)c(Oc3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-methyl-4-phenoxycinnoline?
The InChIKey is LJKAPAWWABQIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-17(22-12-7-5-4-6-8-12)13-9-15(20-2)16(21-3)10-14(13)19-18-11/h4-10H,1-3H3.
What are the key properties of 6,7-dimethoxy-3-methyl-4-phenoxycinnoline?
6,7-dimethoxy-3-methyl-4-phenoxycinnoline has a molecular weight of 296.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methyl-4-phenoxycinnoline is sourced from PubChem (CID 134914755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).