(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone

C16H11N3O — CID 118378707

IUPAC(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone
SMILESC=Cc1cc(C(=O)c2cncnc2)cc2cccnc12
InChIInChI=1S/C16H11N3O/c1-2-11-6-13(7-12-4-3-5-19-15(11)12)16(20)14-8-17-10-18-9-14/h2-10H,1H2
InChIKeySCGDVRMOPWACRG-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.90
Rot. Bonds3

About (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone

(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone (PubChem CID 118378707) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone
PubChem CID118378707
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone
SMILESC=Cc1cc(C(=O)c2cncnc2)cc2cccnc12
InChIInChI=1S/C16H11N3O/c1-2-11-6-13(7-12-4-3-5-19-15(11)12)16(20)14-8-17-10-18-9-14/h2-10H,1H2
InChIKeySCGDVRMOPWACRG-UHFFFAOYSA-N
XLogP2.90
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone (CID 118378707) is (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone is C=Cc1cc(C(=O)c2cncnc2)cc2cccnc12.
What is the InChIKey of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone?
The InChIKey is SCGDVRMOPWACRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c1-2-11-6-13(7-12-4-3-5-19-15(11)12)16(20)14-8-17-10-18-9-14/h2-10H,1H2.
What are the key properties of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone?
(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone has a molecular weight of 261.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 118378707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).