pyrimidin-2-yl(quinolin-8-yl)methanone

C14H9N3O — CID 81220703

IUPACpyrimidin-2-yl(quinolin-8-yl)methanone
SMILESO=C(c1ncccn1)c1cccc2cccnc12
InChIInChI=1S/C14H9N3O/c18-13(14-16-8-3-9-17-14)11-6-1-4-10-5-2-7-15-12(10)11/h1-9H
InChIKeyMZGIUNSSPUUTAZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.26
Rot. Bonds2

About pyrimidin-2-yl(quinolin-8-yl)methanone

pyrimidin-2-yl(quinolin-8-yl)methanone (PubChem CID 81220703) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is pyrimidin-2-yl(quinolin-8-yl)methanone.

Molecular Properties

Compound Namepyrimidin-2-yl(quinolin-8-yl)methanone
PubChem CID81220703
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Namepyrimidin-2-yl(quinolin-8-yl)methanone
SMILESO=C(c1ncccn1)c1cccc2cccnc12
InChIInChI=1S/C14H9N3O/c18-13(14-16-8-3-9-17-14)11-6-1-4-10-5-2-7-15-12(10)11/h1-9H
InChIKeyMZGIUNSSPUUTAZ-UHFFFAOYSA-N
XLogP2.26
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

palladium;quinoline-8-carboxylic acid
CID 174945118
(2-ethylphenyl)-quinolin-8-ylmethanone
CID 115790630
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
(4-tert-butylphenyl)-quinolin-8-ylmethanone
CID 102581511
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
(5-chlorofuran-2-yl)-quinolin-8-ylmethanone
CID 106691206
(2,4-dimethylphenyl)-quinolin-8-ylmethanone
CID 115604843
(2,4-dichlorophenyl)-quinolin-8-ylmethanone
CID 115604879
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
(3-bromofuran-2-yl)-quinolin-8-ylmethanone
CID 105101694
(2,5-dimethylfuran-3-yl)-quinolin-8-ylmethanone
CID 113230028
(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
CID 116552296

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-yl(quinolin-8-yl)methanone?
The IUPAC name of pyrimidin-2-yl(quinolin-8-yl)methanone (CID 81220703) is pyrimidin-2-yl(quinolin-8-yl)methanone.
What is the SMILES notation for pyrimidin-2-yl(quinolin-8-yl)methanone?
The canonical SMILES for pyrimidin-2-yl(quinolin-8-yl)methanone is O=C(c1ncccn1)c1cccc2cccnc12.
What is the InChIKey of pyrimidin-2-yl(quinolin-8-yl)methanone?
The InChIKey is MZGIUNSSPUUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c18-13(14-16-8-3-9-17-14)11-6-1-4-10-5-2-7-15-12(10)11/h1-9H.
What are the key properties of pyrimidin-2-yl(quinolin-8-yl)methanone?
pyrimidin-2-yl(quinolin-8-yl)methanone has a molecular weight of 235.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-yl(quinolin-8-yl)methanone is sourced from PubChem (CID 81220703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).