3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one

C13H14N2O2 — CID 175271959

IUPAC3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one
SMILESCc1c(N)c(=O)c2ccccc2n1C1COC1
InChIInChI=1S/C13H14N2O2/c1-8-12(14)13(16)10-4-2-3-5-11(10)15(8)9-6-17-7-9/h2-5,9H,6-7,14H2,1H3
InChIKeyQIYHSXGLUGUGPE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.46
Rot. Bonds1

About 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one

3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one (PubChem CID 175271959) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one
PubChem CID175271959
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one
SMILESCc1c(N)c(=O)c2ccccc2n1C1COC1
InChIInChI=1S/C13H14N2O2/c1-8-12(14)13(16)10-4-2-3-5-11(10)15(8)9-6-17-7-9/h2-5,9H,6-7,14H2,1H3
InChIKeyQIYHSXGLUGUGPE-UHFFFAOYSA-N
XLogP1.46
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one
CID 175784064
11-iodobenzo[b][1]benzazepine-5,6-dione
CID 139448452
9-cyclopentylcarbazol-3-amine
CID 150164396
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
2-methyl-1-[[(2S)-oxiran-2-yl]methyl]indole-3-carbaldehyde
CID 51674653
9-cyclobutylcarbazole
CID 66713557
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
(3aS,7S)-7-carbazol-9-yl-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxathiolo[4,5-c]pyran 2-oxide
CID 161250182
9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid
CID 59626371
1-(4-amino-2-methylindol-1-yl)-2-(oxetan-3-yl)ethanone
CID 112526439
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one?
The IUPAC name of 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one (CID 175271959) is 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one.
What is the SMILES notation for 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one?
The canonical SMILES for 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one is Cc1c(N)c(=O)c2ccccc2n1C1COC1.
What is the InChIKey of 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one?
The InChIKey is QIYHSXGLUGUGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-12(14)13(16)10-4-2-3-5-11(10)15(8)9-6-17-7-9/h2-5,9H,6-7,14H2,1H3.
What are the key properties of 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one?
3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(oxetan-3-yl)quinolin-4-one is sourced from PubChem (CID 175271959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).