7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline

C11H10N2O — CID 136922770

IUPAC7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline
SMILESCc1ccc2c(c1)NCc1cnoc1-2
InChIInChI=1S/C11H10N2O/c1-7-2-3-9-10(4-7)12-5-8-6-13-14-11(8)9/h2-4,6,12H,5H2,1H3
InChIKeyUPCOILVNARQOHW-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.58
Rot. Bonds

About 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline

7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline (PubChem CID 136922770) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline.

Molecular Properties

Compound Name7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline
PubChem CID136922770
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline
SMILESCc1ccc2c(c1)NCc1cnoc1-2
InChIInChI=1S/C11H10N2O/c1-7-2-3-9-10(4-7)12-5-8-6-13-14-11(8)9/h2-4,6,12H,5H2,1H3
InChIKeyUPCOILVNARQOHW-UHFFFAOYSA-N
XLogP2.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline?
The IUPAC name of 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline (CID 136922770) is 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline.
What is the SMILES notation for 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline?
The canonical SMILES for 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline is Cc1ccc2c(c1)NCc1cnoc1-2.
What is the InChIKey of 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline?
The InChIKey is UPCOILVNARQOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-2-3-9-10(4-7)12-5-8-6-13-14-11(8)9/h2-4,6,12H,5H2,1H3.
What are the key properties of 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline?
7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline has a molecular weight of 186.21 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,5-dihydro-[1,2]oxazolo[4,5-c]quinoline is sourced from PubChem (CID 136922770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).