9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

C19H19N3O2S — CID 133479287

IUPAC9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESc1ccc2c(N3CCOC4(CCOC4)C3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C19H19N3O2S/c1-2-4-16-15(3-1)18(21-17(20-16)14-5-10-25-11-14)22-7-9-24-19(12-22)6-8-23-13-19/h1-5,10-11H,6-9,12-13H2
InChIKeyYWMHORIOVCIUEV-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.35
Rot. Bonds2

About 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 133479287) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID133479287
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESc1ccc2c(N3CCOC4(CCOC4)C3)nc(-c3ccsc3)nc2c1
InChIInChI=1S/C19H19N3O2S/c1-2-4-16-15(3-1)18(21-17(20-16)14-5-10-25-11-14)22-7-9-24-19(12-22)6-8-23-13-19/h1-5,10-11H,6-9,12-13H2
InChIKeyYWMHORIOVCIUEV-UHFFFAOYSA-N
XLogP3.35
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493903
2-thiophen-2-yl-4-(2-thiophen-3-ylquinazolin-4-yl)morpholine
CID 133363520
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133458583
4'-(2-pyridin-4-ylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413278
4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378282
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 49431387
4-imidazol-1-yl-2-thiophen-3-ylquinazoline
CID 17392212

Frequently Asked Questions

What is the IUPAC name of 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (CID 133479287) is 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is c1ccc2c(N3CCOC4(CCOC4)C3)nc(-c3ccsc3)nc2c1.
What is the InChIKey of 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is YWMHORIOVCIUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-4-16-15(3-1)18(21-17(20-16)14-5-10-25-11-14)22-7-9-24-19(12-22)6-8-23-13-19/h1-5,10-11H,6-9,12-13H2.
What are the key properties of 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 353.45 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 133479287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).