8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline

C17H11N3OS — CID 4170100

IUPAC8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline
SMILESc1csc(-c2cnc(Oc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C17H11N3OS/c1-4-12-5-2-8-18-16(12)14(6-1)21-17-19-10-13(11-20-17)15-7-3-9-22-15/h1-11H
InChIKeyNJVHPUJZPWISGX-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.55
Rot. Bonds3

About 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline

8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline (PubChem CID 4170100) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline.

Molecular Properties

Compound Name8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline
PubChem CID4170100
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline
SMILESc1csc(-c2cnc(Oc3cccc4cccnc34)nc2)c1
InChIInChI=1S/C17H11N3OS/c1-4-12-5-2-8-18-16(12)14(6-1)21-17-19-10-13(11-20-17)15-7-3-9-22-15/h1-11H
InChIKeyNJVHPUJZPWISGX-UHFFFAOYSA-N
XLogP4.55
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-5-thiophen-2-ylpyrimidine
CID 5065856
(4-methyl-2-quinolin-8-yloxypyrimidin-5-yl)methanamine
CID 83188918
hydron;quinolin-8-yl thiophene-2-carboxylate;chloride
CID 652773
2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
(2-quinolin-8-yloxypyrimidin-4-yl)methanamine
CID 107542518
N-methyl-1-(2-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322209
2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
8-naphthalen-1-yl-6-thiophen-2-ylquinoline
CID 68627710
4-quinolin-8-yloxypyridin-3-amine
CID 28890445
tri(quinolin-8-yloxy)alumane
CID 16683111
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
8-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 114837621

Frequently Asked Questions

What is the IUPAC name of 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline?
The IUPAC name of 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline (CID 4170100) is 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline.
What is the SMILES notation for 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline?
The canonical SMILES for 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline is c1csc(-c2cnc(Oc3cccc4cccnc34)nc2)c1.
What is the InChIKey of 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline?
The InChIKey is NJVHPUJZPWISGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c1-4-12-5-2-8-18-16(12)14(6-1)21-17-19-10-13(11-20-17)15-7-3-9-22-15/h1-11H.
What are the key properties of 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline?
8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline has a molecular weight of 305.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-thiophen-2-ylpyrimidin-2-yl)oxyquinoline is sourced from PubChem (CID 4170100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).