(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C19H21ClN2O3 — CID 110299051

IUPAC(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cc(C)c2nc(Cl)c(C(=O)N3CCC4(CC3)OCCO4)cc2c1
InChIInChI=1S/C19H21ClN2O3/c1-12-9-13(2)16-14(10-12)11-15(17(20)21-16)18(23)22-5-3-19(4-6-22)24-7-8-25-19/h9-11H,3-8H2,1-2H3
InChIKeyLEZDBAZXFWSFFZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.48
Rot. Bonds1

About (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 110299051) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID110299051
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cc(C)c2nc(Cl)c(C(=O)N3CCC4(CC3)OCCO4)cc2c1
InChIInChI=1S/C19H21ClN2O3/c1-12-9-13(2)16-14(10-12)11-15(17(20)21-16)18(23)22-5-3-19(4-6-22)24-7-8-25-19/h9-11H,3-8H2,1-2H3
InChIKeyLEZDBAZXFWSFFZ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-chloro-3-methyl-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 167911859
(2-chloro-6,8-dimethylquinolin-3-yl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110309956
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
(5-bromo-2-chloro-3-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78990925
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
[7-chloro-8-methyl-2-(3-methylphenyl)quinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 1261814
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983632
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109310037

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 110299051) is (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1cc(C)c2nc(Cl)c(C(=O)N3CCC4(CC3)OCCO4)cc2c1.
What is the InChIKey of (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is LEZDBAZXFWSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-12-9-13(2)16-14(10-12)11-15(17(20)21-16)18(23)22-5-3-19(4-6-22)24-7-8-25-19/h9-11H,3-8H2,1-2H3.
What are the key properties of (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 360.84 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6,8-dimethylquinolin-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 110299051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).