(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone

C14H13ClN2O — CID 167993187

IUPAC(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c3ccccc3n2)C1
InChIInChI=1S/C14H13ClN2O/c1-9-7-17(8-9)14(18)13-6-11(15)10-4-2-3-5-12(10)16-13/h2-6,9H,7-8H2,1H3
InChIKeyIWTAXTZGCANASX-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.98
Rot. Bonds1

About (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone

(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone (PubChem CID 167993187) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
PubChem CID167993187
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)c3ccccc3n2)C1
InChIInChI=1S/C14H13ClN2O/c1-9-7-17(8-9)14(18)13-6-11(15)10-4-2-3-5-12(10)16-13/h2-6,9H,7-8H2,1H3
InChIKeyIWTAXTZGCANASX-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloroquinolin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 63376375
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
(4-chloroquinolin-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408574
(4-chloroquinolin-2-yl)-(2-ethylmorpholin-4-yl)methanone
CID 63375773
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
(4-methylcyclohexyl) 4-chloroquinoline-2-carboxylate
CID 63841179
(4-hydrazinylquinolin-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 63375065
2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 155959797
4-chloro-N-(4-methylpiperazin-1-yl)quinoline-2-carboxamide
CID 83017398
(4-hydrazinylquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 63375198

Frequently Asked Questions

What is the IUPAC name of (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone (CID 167993187) is (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)c3ccccc3n2)C1.
What is the InChIKey of (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is IWTAXTZGCANASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-7-17(8-9)14(18)13-6-11(15)10-4-2-3-5-12(10)16-13/h2-6,9H,7-8H2,1H3.
What are the key properties of (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone?
(4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 260.72 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloroquinolin-2-yl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 167993187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).