1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone

C20H20N2O3S — CID 22434510

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
SMILESCc1ccc2cc3cc(C(=O)N4CCC5(CC4)OCCO5)sc3nc2c1
InChIInChI=1S/C20H20N2O3S/c1-13-2-3-14-11-15-12-17(26-18(15)21-16(14)10-13)19(23)22-6-4-20(5-7-22)24-8-9-25-20/h2-3,10-12H,4-9H2,1H3
InChIKeyOYZCVJDAJCTUKP-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.74
Rot. Bonds1

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone (PubChem CID 22434510) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
PubChem CID22434510
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
SMILESCc1ccc2cc3cc(C(=O)N4CCC5(CC4)OCCO5)sc3nc2c1
InChIInChI=1S/C20H20N2O3S/c1-13-2-3-14-11-15-12-17(26-18(15)21-16(14)10-13)19(23)22-6-4-20(5-7-22)24-8-9-25-20/h2-3,10-12H,4-9H2,1H3
InChIKeyOYZCVJDAJCTUKP-UHFFFAOYSA-N
XLogP3.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone (CID 22434510) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone is Cc1ccc2cc3cc(C(=O)N4CCC5(CC4)OCCO5)sc3nc2c1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
The InChIKey is OYZCVJDAJCTUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-2-3-14-11-15-12-17(26-18(15)21-16(14)10-13)19(23)22-6-4-20(5-7-22)24-8-9-25-20/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-methylthieno[2,3-b]quinolin-2-yl)methanone has a molecular weight of 368.46 g/mol, XLogP of 3.74, 1 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-(7-methylthieno[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 22434510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).