benzo[f]cinnoline;ethanol

C14H14N2O — CID 175086691

IUPACbenzo[f]cinnoline;ethanol
SMILESCCO.c1ccc2c(c1)ccc1nnccc12
InChIInChI=1S/C12H8N2.C2H6O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14-12;1-2-3/h1-8H;3H,2H2,1H3
InChIKeyYIMWIWJMPWLQOT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.78
Rot. Bonds

About benzo[f]cinnoline;ethanol

benzo[f]cinnoline;ethanol (PubChem CID 175086691) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is benzo[f]cinnoline;ethanol.

Molecular Properties

Compound Namebenzo[f]cinnoline;ethanol
PubChem CID175086691
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namebenzo[f]cinnoline;ethanol
SMILESCCO.c1ccc2c(c1)ccc1nnccc12
InChIInChI=1S/C12H8N2.C2H6O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14-12;1-2-3/h1-8H;3H,2H2,1H3
InChIKeyYIMWIWJMPWLQOT-UHFFFAOYSA-N
XLogP2.78
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

benzo[c]cinnoline;cinnoline
CID 70561425
5-ethylcinnoline
CID 147224784
benzo[f]quinoline;iodomethane
CID 21121996
ethanol;naphthalene
CID 91408804
cinnoline;ethoxyethane
CID 122673092
anthracene;ethanol;titanium
CID 160763576
phenanthrene;phosphinous acid
CID 174826862
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
cyclodeca[c]pyridazine
CID 68549169
cinnoline;hydrochloride
CID 175461371
6-ethylcinnoline
CID 70647783

Frequently Asked Questions

What is the IUPAC name of benzo[f]cinnoline;ethanol?
The IUPAC name of benzo[f]cinnoline;ethanol (CID 175086691) is benzo[f]cinnoline;ethanol.
What is the SMILES notation for benzo[f]cinnoline;ethanol?
The canonical SMILES for benzo[f]cinnoline;ethanol is CCO.c1ccc2c(c1)ccc1nnccc12.
What is the InChIKey of benzo[f]cinnoline;ethanol?
The InChIKey is YIMWIWJMPWLQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C2H6O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14-12;1-2-3/h1-8H;3H,2H2,1H3.
What are the key properties of benzo[f]cinnoline;ethanol?
benzo[f]cinnoline;ethanol has a molecular weight of 226.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]cinnoline;ethanol is sourced from PubChem (CID 175086691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).