7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline

C19H16N2O3 — CID 878649

IUPAC7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(C)nc3onc(-c4ccccc4)c3c2cc1OC
InChIInChI=1S/C19H16N2O3/c1-11-13-9-15(22-2)16(23-3)10-14(13)17-18(21-24-19(17)20-11)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyMNCMTBVYTPCLSJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.37
Rot. Bonds3

About 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline

7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline (PubChem CID 878649) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
PubChem CID878649
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(C)nc3onc(-c4ccccc4)c3c2cc1OC
InChIInChI=1S/C19H16N2O3/c1-11-13-9-15(22-2)16(23-3)10-14(13)17-18(21-24-19(17)20-11)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKeyMNCMTBVYTPCLSJ-UHFFFAOYSA-N
XLogP4.37
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline 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 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline?
The IUPAC name of 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline (CID 878649) is 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline.
What is the SMILES notation for 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline?
The canonical SMILES for 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline is COc1cc2c(C)nc3onc(-c4ccccc4)c3c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline?
The InChIKey is MNCMTBVYTPCLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-13-9-15(22-2)16(23-3)10-14(13)17-18(21-24-19(17)20-11)12-7-5-4-6-8-12/h4-10H,1-3H3.
What are the key properties of 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline?
7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline has a molecular weight of 320.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline is sourced from PubChem (CID 878649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).