(2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

C19H21ClN2O3 — CID 119040009

IUPAC(2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)nc3ccccc23)CC2(CCOC2C)O1
InChIInChI=1S/C19H21ClN2O3/c1-12-10-22(11-19(25-12)7-8-24-13(19)2)18(23)15-9-17(20)21-16-6-4-3-5-14(15)16/h3-6,9,12-13H,7-8,10-11H2,1-2H3
InChIKeyOAVWMWMETITLMN-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.30
Rot. Bonds1

About (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

(2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 119040009) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID119040009
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)nc3ccccc23)CC2(CCOC2C)O1
InChIInChI=1S/C19H21ClN2O3/c1-12-10-22(11-19(25-12)7-8-24-13(19)2)18(23)15-9-17(20)21-16-6-4-3-5-14(15)16/h3-6,9,12-13H,7-8,10-11H2,1-2H3
InChIKeyOAVWMWMETITLMN-UHFFFAOYSA-N
XLogP3.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

(2-chloroquinolin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43430898
(2-chloroquinolin-4-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678213
(2-chloroquinolin-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920816
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
(2-chloroquinolin-4-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 43319697
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009952
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
2-chloro-N-(2-methyloxolan-3-yl)quinoline-4-carboxamide
CID 82725051
1-[(1S,5S,7R)-1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-(2,4,5-trifluorophenyl)ethanone
CID 125139605
methyl 2-chloroquinoline-4-carboxylate
CID 5202936

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 119040009) is (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is CC1CN(C(=O)c2cc(Cl)nc3ccccc23)CC2(CCOC2C)O1.
What is the InChIKey of (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is OAVWMWMETITLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-10-22(11-19(25-12)7-8-24-13(19)2)18(23)15-9-17(20)21-16-6-4-3-5-14(15)16/h3-6,9,12-13H,7-8,10-11H2,1-2H3.
What are the key properties of (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 360.84 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-4-yl)-(1,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 119040009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).