(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone

C14H14N2O2 — CID 63105082

IUPAC(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(O)C2)c2ccccc2n1
InChIInChI=1S/C14H14N2O2/c1-9-6-12(14(18)16-7-10(17)8-16)11-4-2-3-5-13(11)15-9/h2-6,10,17H,7-8H2,1H3
InChIKeyYSIGQKVJGNUXBU-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.36
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone

(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone (PubChem CID 63105082) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
PubChem CID63105082
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(O)C2)c2ccccc2n1
InChIInChI=1S/C14H14N2O2/c1-9-6-12(14(18)16-7-10(17)8-16)11-4-2-3-5-13(11)15-9/h2-6,10,17H,7-8H2,1H3
InChIKeyYSIGQKVJGNUXBU-UHFFFAOYSA-N
XLogP1.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3S,4S)-4-methyl-1-(2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952992
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 70712754
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone (CID 63105082) is (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CC(O)C2)c2ccccc2n1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone?
The InChIKey is YSIGQKVJGNUXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-12(14(18)16-7-10(17)8-16)11-4-2-3-5-13(11)15-9/h2-6,10,17H,7-8H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone?
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 63105082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).