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

C16H13N3O — CID 118378682

IUPAC(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol
SMILESC=Cc1cc(C(O)c2cncnc2)cc2cccnc12
InChIInChI=1S/C16H13N3O/c1-2-11-6-13(7-12-4-3-5-19-15(11)12)16(20)14-8-17-10-18-9-14/h2-10,16,20H,1H2
InChIKeyJAXBLCIGRSBZBM-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.75
Rot. Bonds3

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

(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol (PubChem CID 118378682) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol
PubChem CID118378682
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol
SMILESC=Cc1cc(C(O)c2cncnc2)cc2cccnc12
InChIInChI=1S/C16H13N3O/c1-2-11-6-13(7-12-4-3-5-19-15(11)12)16(20)14-8-17-10-18-9-14/h2-10,16,20H,1H2
InChIKeyJAXBLCIGRSBZBM-UHFFFAOYSA-N
XLogP2.75
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanone
CID 118378707
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
3-ethenyl-1,10-phenanthroline
CID 58813469
1-(8-methylquinolin-6-yl)ethanol
CID 82576101
8-(1-bromoethenyl)-7-ethenylquinoline
CID 144820073
pyrazin-2-yl(quinolin-6-yl)methanol
CID 63969432
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701
7-ethenyl-8-prop-1-en-2-ylquinoline
CID 144820069
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
pyrido[3,2-h]quinazoline
CID 55297723
(4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62491341

Frequently Asked Questions

What is the IUPAC name of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol (CID 118378682) is (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol is C=Cc1cc(C(O)c2cncnc2)cc2cccnc12.
What is the InChIKey of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol?
The InChIKey is JAXBLCIGRSBZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-11-6-13(7-12-4-3-5-19-15(11)12)16(20)14-8-17-10-18-9-14/h2-10,16,20H,1H2.
What are the key properties of (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol?
(8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol has a molecular weight of 263.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethenylquinolin-6-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 118378682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).