2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one

C11H8N2O2 — CID 102596896

IUPAC2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one
SMILESCc1nc2c(=O)c3ccccc3[nH]c2o1
InChIInChI=1S/C11H8N2O2/c1-6-12-9-10(14)7-4-2-3-5-8(7)13-11(9)15-6/h2-5H,1H3,(H,13,14)
InChIKeyMPHHCJQXPKIDSV-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.98
Rot. Bonds

About 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one

2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one (PubChem CID 102596896) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one.

Molecular Properties

Compound Name2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one
PubChem CID102596896
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one
SMILESCc1nc2c(=O)c3ccccc3[nH]c2o1
InChIInChI=1S/C11H8N2O2/c1-6-12-9-10(14)7-4-2-3-5-8(7)13-11(9)15-6/h2-5H,1H3,(H,13,14)
InChIKeyMPHHCJQXPKIDSV-UHFFFAOYSA-N
XLogP1.98
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10H-acridin-9-one;ethane
CID 91525380
4-methyl-9H-pyrano[2,3-b]indol-2-one
CID 729413
10H-acridin-9-one
CID 22753806
6-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
CID 132564019
5H-pyridazino[4,3-b]quinolin-10-one
CID 10987203
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
CID 11630194
3-methyl-2-nitroso-1H-quinolin-4-one
CID 142851459
methyl 2,5-dioxo-10H-pyrano[2,3-b]quinoline-3-carboxylate
CID 23740281
2,9-dihydro-[1,2,4]triazino[6,5-b]indol-3-one
CID 137221074
8-chloro-2-methyl-3,1-benzoxazin-4-one
CID 18444255
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one?
The IUPAC name of 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one (CID 102596896) is 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one.
What is the SMILES notation for 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one?
The canonical SMILES for 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one is Cc1nc2c(=O)c3ccccc3[nH]c2o1.
What is the InChIKey of 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one?
The InChIKey is MPHHCJQXPKIDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-6-12-9-10(14)7-4-2-3-5-8(7)13-11(9)15-6/h2-5H,1H3,(H,13,14).
What are the key properties of 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one?
2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one has a molecular weight of 200.20 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one is sourced from PubChem (CID 102596896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).