8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline

C16H14ClN3O — CID 80938307

IUPAC8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
SMILESCCCc1nc(Cl)cc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C16H14ClN3O/c1-2-5-14-19-13(17)10-15(20-14)21-12-8-3-6-11-7-4-9-18-16(11)12/h3-4,6-10H,2,5H2,1H3
InChIKeyIKUSOJRYCDPCAV-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.42
Rot. Bonds4

About 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline

8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline (PubChem CID 80938307) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
PubChem CID80938307
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
SMILESCCCc1nc(Cl)cc(Oc2cccc3cccnc23)n1
InChIInChI=1S/C16H14ClN3O/c1-2-5-14-19-13(17)10-15(20-14)21-12-8-3-6-11-7-4-9-18-16(11)12/h3-4,6-10H,2,5H2,1H3
InChIKeyIKUSOJRYCDPCAV-UHFFFAOYSA-N
XLogP4.42
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(2,3-difluorophenoxy)-2-propylpyrimidine
CID 80940071
4-chloro-6-(2-fluoro-3-methylphenoxy)-2-propylpyrimidine
CID 107657898
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-propylpyrimidine
CID 80939586
2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80938865
4-chloro-6-(5-chloro-2-methylphenoxy)-2-propylpyrimidine
CID 80938340
4-chloro-2-ethyl-6-naphthalen-1-yloxypyrimidine
CID 80944144
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
CID 102749564
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
CID 114676180

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline?
The IUPAC name of 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline (CID 80938307) is 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline.
What is the SMILES notation for 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline?
The canonical SMILES for 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline is CCCc1nc(Cl)cc(Oc2cccc3cccnc23)n1.
What is the InChIKey of 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline?
The InChIKey is IKUSOJRYCDPCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-2-5-14-19-13(17)10-15(20-14)21-12-8-3-6-11-7-4-9-18-16(11)12/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline?
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline has a molecular weight of 299.76 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline is sourced from PubChem (CID 80938307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).