1H-benzo[e]cinnoline

C12H10N2 — CID 100913929

IUPAC1H-benzo[e]cinnoline
SMILESC1=CC2=CC=CC3=NN=CCC23C=C1
InChIInChI=1S/C12H10N2/c1-2-7-12-8-9-13-14-11(12)6-3-5-10(12)4-1/h1-7,9H,8H2
InChIKeyZACDSKZACLROMH-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.43
Rot. Bonds

About 1H-benzo[e]cinnoline

1H-benzo[e]cinnoline (PubChem CID 100913929) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1H-benzo[e]cinnoline.

Molecular Properties

Compound Name1H-benzo[e]cinnoline
PubChem CID100913929
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1H-benzo[e]cinnoline
SMILESC1=CC2=CC=CC3=NN=CCC23C=C1
InChIInChI=1S/C12H10N2/c1-2-7-12-8-9-13-14-11(12)6-3-5-10(12)4-1/h1-7,9H,8H2
InChIKeyZACDSKZACLROMH-UHFFFAOYSA-N
XLogP2.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[e]cinnoline?
The IUPAC name of 1H-benzo[e]cinnoline (CID 100913929) is 1H-benzo[e]cinnoline.
What is the SMILES notation for 1H-benzo[e]cinnoline?
The canonical SMILES for 1H-benzo[e]cinnoline is C1=CC2=CC=CC3=NN=CCC23C=C1.
What is the InChIKey of 1H-benzo[e]cinnoline?
The InChIKey is ZACDSKZACLROMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-7-12-8-9-13-14-11(12)6-3-5-10(12)4-1/h1-7,9H,8H2.
What are the key properties of 1H-benzo[e]cinnoline?
1H-benzo[e]cinnoline has a molecular weight of 182.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[e]cinnoline is sourced from PubChem (CID 100913929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).