1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C48H52N4O5 — CID 158750926

IUPAC1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)OCCO2.CC(=O)c1cc(-c2ccccc2)nc2ccccc12.CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C24H26N2O2.C17H13NO.C7H13NO2/c1-18(26-13-11-24(12-14-26)27-15-16-28-24)21-17-23(19-7-3-2-4-8-19)25-22-10-6-5-9-20(21)22;1-12(19)15-11-17(13-7-3-2-4-8-13)18-16-10-6-5-9-14(15)16;1-3-8-4-2-7(1)9-5-6-10-7/h2-10,17-18H,11-16H2,1H3;2-11H,1H3;8H,1-6H2
InChIKeyINLWNCONPPWDLI-UHFFFAOYSA-N
MW764.97 g/mol
LogP9.02
Rot. Bonds5

About 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 158750926) has the molecular formula C48H52N4O5 and a molecular weight of 764.97 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID158750926
Molecular FormulaC48H52N4O5
Molecular Weight764.97 g/mol
Exact Mass764.39
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)OCCO2.CC(=O)c1cc(-c2ccccc2)nc2ccccc12.CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2
InChIInChI=1S/C24H26N2O2.C17H13NO.C7H13NO2/c1-18(26-13-11-24(12-14-26)27-15-16-28-24)21-17-23(19-7-3-2-4-8-19)25-22-10-6-5-9-20(21)22;1-12(19)15-11-17(13-7-3-2-4-8-13)18-16-10-6-5-9-14(15)16;1-3-8-4-2-7(1)9-5-6-10-7/h2-10,17-18H,11-16H2,1H3;2-11H,1H3;8H,1-6H2
InChIKeyINLWNCONPPWDLI-UHFFFAOYSA-N
XLogP9.02
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

N,N-diethyl-1-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;N,N-diethylpiperidin-4-amine;1-(2-phenylquinolin-4-yl)ethanone
CID 160902581
1-(7-chloro-2-phenylquinolin-4-yl)ethanone;1-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]-N,N-diethylpiperidin-4-amine;N,N-diethylpiperidin-4-amine
CID 161125777
8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90461235
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-phenyl-4-[1-(4-piperidin-1-ylpiperidin-1-yl)ethyl]quinoline;hydrochloride
CID 86275500
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
8-[2-(4-methylphenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane;1-[2-(4-methylphenyl)quinolin-4-yl]piperidin-4-one
CID 160809179
propan-2-yl 2-phenyl-2-(2-phenylquinolin-4-yl)acetate
CID 141464129

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 158750926) is 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is C1CC2(CCN1)OCCO2.CC(=O)c1cc(-c2ccccc2)nc2ccccc12.CC(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is INLWNCONPPWDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.C17H13NO.C7H13NO2/c1-18(26-13-11-24(12-14-26)27-15-16-28-24)21-17-23(19-7-3-2-4-8-19)25-22-10-6-5-9-20(21)22;1-12(19)15-11-17(13-7-3-2-4-8-13)18-16-10-6-5-9-14(15)16;1-3-8-4-2-7(1)9-5-6-10-7/h2-10,17-18H,11-16H2,1H3;2-11H,1H3;8H,1-6H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 764.97 g/mol, XLogP of 9.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decane;1-(2-phenylquinolin-4-yl)ethanone;8-[1-(2-phenylquinolin-4-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 158750926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).