5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one

C13H8ClN3O2 — CID 114676180

IUPAC5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cccc3cccnc23)c1Cl
InChIInChI=1S/C13H8ClN3O2/c14-10-12(18)16-7-17-13(10)19-9-5-1-3-8-4-2-6-15-11(8)9/h1-7H,(H,16,17,18)
InChIKeyCKTRJPGATDXGQD-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.76
Rot. Bonds2

About 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one

5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one (PubChem CID 114676180) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
PubChem CID114676180
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cccc3cccnc23)c1Cl
InChIInChI=1S/C13H8ClN3O2/c14-10-12(18)16-7-17-13(10)19-9-5-1-3-8-4-2-6-15-11(8)9/h1-7H,(H,16,17,18)
InChIKeyCKTRJPGATDXGQD-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
CID 114676420
8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
CID 102749564
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one
CID 114676292
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
6-quinolin-8-yloxy-7H-purin-2-amine
CID 114787361
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
8-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 114837621
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one (CID 114676180) is 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2cccc3cccnc23)c1Cl.
What is the InChIKey of 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one?
The InChIKey is CKTRJPGATDXGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-12(18)16-7-17-13(10)19-9-5-1-3-8-4-2-6-15-11(8)9/h1-7H,(H,16,17,18).
What are the key properties of 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one?
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one has a molecular weight of 273.68 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).