5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine

C11H8ClN3O — CID 28809377

IUPAC5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine
SMILESCc1ccc(Cl)c2cc3c(N)onc3nc12
InChIInChI=1S/C11H8ClN3O/c1-5-2-3-8(12)6-4-7-10(13)16-15-11(7)14-9(5)6/h2-4H,13H2,1H3
InChIKeyOBDFCRZXOZGVFV-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.92
Rot. Bonds

About 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine

5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine (PubChem CID 28809377) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine.

Molecular Properties

Compound Name5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine
PubChem CID28809377
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine
SMILESCc1ccc(Cl)c2cc3c(N)onc3nc12
InChIInChI=1S/C11H8ClN3O/c1-5-2-3-8(12)6-4-7-10(13)16-15-11(7)14-9(5)6/h2-4H,13H2,1H3
InChIKeyOBDFCRZXOZGVFV-UHFFFAOYSA-N
XLogP2.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine?
The IUPAC name of 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine (CID 28809377) is 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine.
What is the SMILES notation for 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine?
The canonical SMILES for 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine is Cc1ccc(Cl)c2cc3c(N)onc3nc12.
What is the InChIKey of 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine?
The InChIKey is OBDFCRZXOZGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-5-2-3-8(12)6-4-7-10(13)16-15-11(7)14-9(5)6/h2-4H,13H2,1H3.
What are the key properties of 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine?
5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine has a molecular weight of 233.66 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine is sourced from PubChem (CID 28809377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).