(8-methyl-6-oxoquinolizin-3-yl)methylazanium

C11H13N2O+ — CID 21364175

IUPAC(8-methyl-6-oxoquinolizin-3-yl)methylazanium
SMILESCc1cc(=O)n2cc(C[NH3+])ccc2c1
InChIInChI=1S/C11H12N2O/c1-8-4-10-3-2-9(6-12)7-13(10)11(14)5-8/h2-5,7H,6,12H2,1H3/p+1
InChIKeyUPGDHTFHTRIHJH-UHFFFAOYSA-O
MW189.24 g/mol
LogP0.35
Rot. Bonds1

About (8-methyl-6-oxoquinolizin-3-yl)methylazanium

(8-methyl-6-oxoquinolizin-3-yl)methylazanium (PubChem CID 21364175) has the molecular formula C11H13N2O+ and a molecular weight of 189.24 g/mol. Its IUPAC name is (8-methyl-6-oxoquinolizin-3-yl)methylazanium.

Molecular Properties

Compound Name(8-methyl-6-oxoquinolizin-3-yl)methylazanium
PubChem CID21364175
Molecular FormulaC11H13N2O+
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Name(8-methyl-6-oxoquinolizin-3-yl)methylazanium
SMILESCc1cc(=O)n2cc(C[NH3+])ccc2c1
InChIInChI=1S/C11H12N2O/c1-8-4-10-3-2-9(6-12)7-13(10)11(14)5-8/h2-5,7H,6,12H2,1H3/p+1
InChIKeyUPGDHTFHTRIHJH-UHFFFAOYSA-O
XLogP0.35
TPSA49.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-6-oxoquinolizin-3-yl)methylazanium?
The IUPAC name of (8-methyl-6-oxoquinolizin-3-yl)methylazanium (CID 21364175) is (8-methyl-6-oxoquinolizin-3-yl)methylazanium.
What is the SMILES notation for (8-methyl-6-oxoquinolizin-3-yl)methylazanium?
The canonical SMILES for (8-methyl-6-oxoquinolizin-3-yl)methylazanium is Cc1cc(=O)n2cc(C[NH3+])ccc2c1.
What is the InChIKey of (8-methyl-6-oxoquinolizin-3-yl)methylazanium?
The InChIKey is UPGDHTFHTRIHJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H12N2O/c1-8-4-10-3-2-9(6-12)7-13(10)11(14)5-8/h2-5,7H,6,12H2,1H3/p+1.
What are the key properties of (8-methyl-6-oxoquinolizin-3-yl)methylazanium?
(8-methyl-6-oxoquinolizin-3-yl)methylazanium has a molecular weight of 189.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-6-oxoquinolizin-3-yl)methylazanium is sourced from PubChem (CID 21364175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).