3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline

C12H10N2O — CID 15933935

IUPAC3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline
SMILESCc1nc2ccccc2c2noc(C)c12
InChIInChI=1S/C12H10N2O/c1-7-11-8(2)15-14-12(11)9-5-3-4-6-10(9)13-7/h3-6H,1-2H3
InChIKeyIXMBYVQRBCWECA-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.99
Rot. Bonds

About 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline

3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline (PubChem CID 15933935) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline.

Molecular Properties

Compound Name3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline
PubChem CID15933935
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline
SMILESCc1nc2ccccc2c2noc(C)c12
InChIInChI=1S/C12H10N2O/c1-7-11-8(2)15-14-12(11)9-5-3-4-6-10(9)13-7/h3-6H,1-2H3
InChIKeyIXMBYVQRBCWECA-UHFFFAOYSA-N
XLogP2.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline?
The IUPAC name of 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline (CID 15933935) is 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline.
What is the SMILES notation for 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline?
The canonical SMILES for 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline is Cc1nc2ccccc2c2noc(C)c12.
What is the InChIKey of 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline?
The InChIKey is IXMBYVQRBCWECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-11-8(2)15-14-12(11)9-5-3-4-6-10(9)13-7/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline?
3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline has a molecular weight of 198.22 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-[1,2]oxazolo[4,3-c]quinoline is sourced from PubChem (CID 15933935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).