2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one

C20H20N2O4S — CID 126458329

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)sc3c2c1
InChIInChI=1S/C20H20N2O4S/c1-12-2-3-15-13(10-12)17-14(18(23)21-15)11-16(27-17)19(24)22-6-4-20(5-7-22)25-8-9-26-20/h2-3,10-11H,4-9H2,1H3,(H,21,23)
InChIKeyFPYCWJAGILYPCX-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.03
Rot. Bonds1

About 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one

2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one (PubChem CID 126458329) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one
PubChem CID126458329
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one
SMILESCc1ccc2[nH]c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)sc3c2c1
InChIInChI=1S/C20H20N2O4S/c1-12-2-3-15-13(10-12)17-14(18(23)21-15)11-16(27-17)19(24)22-6-4-20(5-7-22)25-8-9-26-20/h2-3,10-11H,4-9H2,1H3,(H,21,23)
InChIKeyFPYCWJAGILYPCX-UHFFFAOYSA-N
XLogP3.03
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-thieno[3,2-c]quinolin-4-one
CID 15987691
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-8-methyl-5H-thieno[3,2-c]quinolin-4-one
CID 20879965
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
CID 22434510
(4-chlorothieno[3,2-c]quinolin-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6622462
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-7-methylisochromen-1-one
CID 175651687
N-cyclohexyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 3562806
N,8-dimethyl-4-oxo-N-phenyl-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6620018
2-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-5H-thieno[3,2-c]quinolin-4-one
CID 20855958
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 2059292
6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
CID 121499593
N-(3-methoxypropyl)-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20873099
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one (CID 126458329) is 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one is Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCC5(CC4)OCCO5)sc3c2c1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
The InChIKey is FPYCWJAGILYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-12-2-3-15-13(10-12)17-14(18(23)21-15)11-16(27-17)19(24)22-6-4-20(5-7-22)25-8-9-26-20/h2-3,10-11H,4-9H2,1H3,(H,21,23).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one?
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one has a molecular weight of 384.46 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methyl-5H-thieno[3,2-c]quinolin-4-one is sourced from PubChem (CID 126458329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).