1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone

C25H26N2O3S — CID 3579678

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone
SMILESCCc1ccc(Sc2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C25H26N2O3S/c1-2-18-7-9-19(10-8-18)31-23-17-21(20-5-3-4-6-22(20)26-23)24(28)27-13-11-25(12-14-27)29-15-16-30-25/h3-10,17H,2,11-16H2,1H3
InChIKeyAQUINDLDAGUZLA-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.93
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone (PubChem CID 3579678) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone
PubChem CID3579678
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone
SMILESCCc1ccc(Sc2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C25H26N2O3S/c1-2-18-7-9-19(10-8-18)31-23-17-21(20-5-3-4-6-22(20)26-23)24(28)27-13-11-25(12-14-27)29-15-16-30-25/h3-10,17H,2,11-16H2,1H3
InChIKeyAQUINDLDAGUZLA-UHFFFAOYSA-N
XLogP4.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone with MolForge

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Related Compounds

2-(4-ethylphenyl)sulfanylquinoline-4-carboxylate
CID 5079957
N-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)quinolin-2-yl]phenyl]propanamide
CID 46375271
N-butyl-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123222
2-(4-ethylphenyl)sulfanyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 5123542
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
CID 110702838
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-[(4-methylphenyl)methyl]quinolin-2-one
CID 156601447
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38377787
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3554779
(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6622462

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone (CID 3579678) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone is CCc1ccc(Sc2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone?
The InChIKey is AQUINDLDAGUZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-2-18-7-9-19(10-8-18)31-23-17-21(20-5-3-4-6-22(20)26-23)24(28)27-13-11-25(12-14-27)29-15-16-30-25/h3-10,17H,2,11-16H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone has a molecular weight of 434.56 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(4-ethylphenyl)sulfanylquinolin-4-yl]methanone is sourced from PubChem (CID 3579678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).