[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone

C23H30N4O5S — CID 142581360

IUPAC[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(S(C)=O)CC3)cnc2c1
InChIInChI=1S/C23H30N4O5S/c1-30-17-3-4-18-20(15-17)24-16-19(22(28)26-9-11-27(12-10-26)33(2)29)21(18)25-7-5-23(6-8-25)31-13-14-32-23/h3-4,15-16H,5-14H2,1-2H3
InChIKeyLAEZVDIKFCVEDR-UHFFFAOYSA-N
MW474.58 g/mol
LogP1.64
Rot. Bonds4

About [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone (PubChem CID 142581360) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
PubChem CID142581360
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
SMILESCOc1ccc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(S(C)=O)CC3)cnc2c1
InChIInChI=1S/C23H30N4O5S/c1-30-17-3-4-18-20(15-17)24-16-19(22(28)26-9-11-27(12-10-26)33(2)29)21(18)25-7-5-23(6-8-25)31-13-14-32-23/h3-4,15-16H,5-14H2,1-2H3
InChIKeyLAEZVDIKFCVEDR-UHFFFAOYSA-N
XLogP1.64
TPSA84.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 142581437
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 142581585
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 142581550
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde
CID 142581527
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 142581476
ethane;(6-fluoro-4-piperazin-1-ylquinolin-3-yl)-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581238
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581331
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581502
cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581314
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42750008

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone?
The IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone (CID 142581360) is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone is COc1ccc2c(N3CCC4(CC3)OCCO4)c(C(=O)N3CCN(S(C)=O)CC3)cnc2c1.
What is the InChIKey of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone?
The InChIKey is LAEZVDIKFCVEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-30-17-3-4-18-20(15-17)24-16-19(22(28)26-9-11-27(12-10-26)33(2)29)21(18)25-7-5-23(6-8-25)31-13-14-32-23/h3-4,15-16H,5-14H2,1-2H3.
What are the key properties of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone?
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone has a molecular weight of 474.58 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone is sourced from PubChem (CID 142581360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).