pyrimidin-4-yl(quinolin-5-yl)methanone

C14H9N3O — CID 81220260

IUPACpyrimidin-4-yl(quinolin-5-yl)methanone
SMILESO=C(c1ccncn1)c1cccc2ncccc12
InChIInChI=1S/C14H9N3O/c18-14(13-6-8-15-9-17-13)11-3-1-5-12-10(11)4-2-7-16-12/h1-9H
InChIKeyAQBWNAPUBAQILV-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.26
Rot. Bonds2

About pyrimidin-4-yl(quinolin-5-yl)methanone

pyrimidin-4-yl(quinolin-5-yl)methanone (PubChem CID 81220260) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is pyrimidin-4-yl(quinolin-5-yl)methanone.

Molecular Properties

Compound Namepyrimidin-4-yl(quinolin-5-yl)methanone
PubChem CID81220260
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Namepyrimidin-4-yl(quinolin-5-yl)methanone
SMILESO=C(c1ccncn1)c1cccc2ncccc12
InChIInChI=1S/C14H9N3O/c18-14(13-6-8-15-9-17-13)11-3-1-5-12-10(11)4-2-7-16-12/h1-9H
InChIKeyAQBWNAPUBAQILV-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

isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
anthracen-1-yl(pyrimidin-4-yl)methanone
CID 173459735
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
1H-imidazol-5-yl(quinolin-5-yl)methanone
CID 59749571
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521
(3-bromofuran-2-yl)-quinolin-5-ylmethanone
CID 105101672

Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-yl(quinolin-5-yl)methanone?
The IUPAC name of pyrimidin-4-yl(quinolin-5-yl)methanone (CID 81220260) is pyrimidin-4-yl(quinolin-5-yl)methanone.
What is the SMILES notation for pyrimidin-4-yl(quinolin-5-yl)methanone?
The canonical SMILES for pyrimidin-4-yl(quinolin-5-yl)methanone is O=C(c1ccncn1)c1cccc2ncccc12.
What is the InChIKey of pyrimidin-4-yl(quinolin-5-yl)methanone?
The InChIKey is AQBWNAPUBAQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c18-14(13-6-8-15-9-17-13)11-3-1-5-12-10(11)4-2-7-16-12/h1-9H.
What are the key properties of pyrimidin-4-yl(quinolin-5-yl)methanone?
pyrimidin-4-yl(quinolin-5-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-4-yl(quinolin-5-yl)methanone is sourced from PubChem (CID 81220260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).