(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

C14H13ClN2O2 — CID 104920816

IUPAC(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CC(CO)C1
InChIInChI=1S/C14H13ClN2O2/c15-13-5-11(10-3-1-2-4-12(10)16-13)14(19)17-6-9(7-17)8-18/h1-5,9,18H,6-8H2
InChIKeyMWPCDRRSWIKLGX-UHFFFAOYSA-N
MW276.72 g/mol
LogP1.95
Rot. Bonds2

About (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone

(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (PubChem CID 104920816) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
PubChem CID104920816
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc2ccccc12)N1CC(CO)C1
InChIInChI=1S/C14H13ClN2O2/c15-13-5-11(10-3-1-2-4-12(10)16-13)14(19)17-6-9(7-17)8-18/h1-5,9,18H,6-8H2
InChIKeyMWPCDRRSWIKLGX-UHFFFAOYSA-N
XLogP1.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
1-[4-(2-chloroquinoline-4-carbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 55917218
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
2-azabicyclo[2.2.1]heptan-2-yl-(2-chloroquinolin-4-yl)methanone
CID 61072408
1-(2-chloroquinolin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664003
(2-chloroquinolin-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973317
(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430898
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009952

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone (CID 104920816) is (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is O=C(c1cc(Cl)nc2ccccc12)N1CC(CO)C1.
What is the InChIKey of (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
The InChIKey is MWPCDRRSWIKLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-5-11(10-3-1-2-4-12(10)16-13)14(19)17-6-9(7-17)8-18/h1-5,9,18H,6-8H2.
What are the key properties of (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone?
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone has a molecular weight of 276.72 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 104920816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).