3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

C30H24N8O2 — CID 70440670

IUPAC3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESCc1cc(-c2nc3c4ccccc4ncc3n2C)on1.Cc1cc(-c2nc3cnc4ccccc4c3n2C)on1
InChIInChI=1S/2C15H12N4O/c1-9-7-13(20-18-9)15-17-14-10-5-3-4-6-11(10)16-8-12(14)19(15)2;1-9-7-13(20-18-9)15-17-12-8-16-11-6-4-3-5-10(11)14(12)19(15)2/h2*3-8H,1-2H3
InChIKeyDBCZEHZZBCGHTA-UHFFFAOYSA-N
MW528.58 g/mol
LogP6.17
Rot. Bonds2

About 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (PubChem CID 70440670) has the molecular formula C30H24N8O2 and a molecular weight of 528.58 g/mol. Its IUPAC name is 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
PubChem CID70440670
Molecular FormulaC30H24N8O2
Molecular Weight528.58 g/mol
Exact Mass528.20
IUPAC Name3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESCc1cc(-c2nc3c4ccccc4ncc3n2C)on1.Cc1cc(-c2nc3cnc4ccccc4c3n2C)on1
InChIInChI=1S/2C15H12N4O/c1-9-7-13(20-18-9)15-17-14-10-5-3-4-6-11(10)16-8-12(14)19(15)2;1-9-7-13(20-18-9)15-17-12-8-16-11-6-4-3-5-10(11)14(12)19(15)2/h2*3-8H,1-2H3
InChIKeyDBCZEHZZBCGHTA-UHFFFAOYSA-N
XLogP6.17
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.58
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (CID 70440670) is 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is Cc1cc(-c2nc3c4ccccc4ncc3n2C)on1.Cc1cc(-c2nc3cnc4ccccc4c3n2C)on1.
What is the InChIKey of 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The InChIKey is DBCZEHZZBCGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12N4O/c1-9-7-13(20-18-9)15-17-14-10-5-3-4-6-11(10)16-8-12(14)19(15)2;1-9-7-13(20-18-9)15-17-12-8-16-11-6-4-3-5-10(11)14(12)19(15)2/h2*3-8H,1-2H3.
What are the key properties of 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole has a molecular weight of 528.58 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole;3-methyl-5-(3-methylimidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 70440670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).