3H-benzo[de]quinoline

C12H9N — CID 70344860

IUPAC3H-benzo[de]quinoline
SMILESC1=Nc2cccc3cccc(c23)C1
InChIInChI=1S/C12H9N/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11/h1-6,8H,7H2
InChIKeySNGHIULRTMGIGY-UHFFFAOYSA-N
MW167.21 g/mol
LogP3.10
Rot. Bonds

About 3H-benzo[de]quinoline

3H-benzo[de]quinoline (PubChem CID 70344860) has the molecular formula C12H9N and a molecular weight of 167.21 g/mol. Its IUPAC name is 3H-benzo[de]quinoline.

Molecular Properties

Compound Name3H-benzo[de]quinoline
PubChem CID70344860
Molecular FormulaC12H9N
Molecular Weight167.21 g/mol
Exact Mass167.07
IUPAC Name3H-benzo[de]quinoline
SMILESC1=Nc2cccc3cccc(c23)C1
InChIInChI=1S/C12H9N/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11/h1-6,8H,7H2
InChIKeySNGHIULRTMGIGY-UHFFFAOYSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3H-benzo[de]quinoline?
The IUPAC name of 3H-benzo[de]quinoline (CID 70344860) is 3H-benzo[de]quinoline.
What is the SMILES notation for 3H-benzo[de]quinoline?
The canonical SMILES for 3H-benzo[de]quinoline is C1=Nc2cccc3cccc(c23)C1.
What is the InChIKey of 3H-benzo[de]quinoline?
The InChIKey is SNGHIULRTMGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N/c1-3-9-5-2-6-11-12(9)10(4-1)7-8-13-11/h1-6,8H,7H2.
What are the key properties of 3H-benzo[de]quinoline?
3H-benzo[de]quinoline has a molecular weight of 167.21 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzo[de]quinoline is sourced from PubChem (CID 70344860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).