naphtho[2,1-f]isoquinoline

C17H11N — CID 9172

IUPACnaphtho[2,1-f]isoquinoline
SMILESc1ccc2c(c1)ccc1c3ccncc3ccc21
InChIInChI=1S/C17H11N/c1-2-4-14-12(3-1)5-7-17-15-9-10-18-11-13(15)6-8-16(14)17/h1-11H
InChIKeyACIUFBMENRNYHI-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.54
Rot. Bonds

About naphtho[2,1-f]isoquinoline

naphtho[2,1-f]isoquinoline (PubChem CID 9172) has the molecular formula C17H11N and a molecular weight of 229.28 g/mol. Its IUPAC name is naphtho[2,1-f]isoquinoline.

Molecular Properties

Compound Namenaphtho[2,1-f]isoquinoline
PubChem CID9172
Molecular FormulaC17H11N
Molecular Weight229.28 g/mol
Exact Mass229.09
IUPAC Namenaphtho[2,1-f]isoquinoline
SMILESc1ccc2c(c1)ccc1c3ccncc3ccc21
InChIInChI=1S/C17H11N/c1-2-4-14-12(3-1)5-7-17-15-9-10-18-11-13(15)6-8-16(14)17/h1-11H
InChIKeyACIUFBMENRNYHI-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 9181
CID 9181
CID 8405
CID 8405
CID 6796
CID 6796
CID 7132
CID 7132
CID 13886
CID 13886
CID 14306
CID 14306
CID 77251
CID 77251
CID 9189
CID 9189
CID 9191
CID 9191
CID 77252
CID 77252
CID 119010
CID 119010
CID 290378
CID 290378

Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-f]isoquinoline?
The IUPAC name of naphtho[2,1-f]isoquinoline (CID 9172) is naphtho[2,1-f]isoquinoline.
What is the SMILES notation for naphtho[2,1-f]isoquinoline?
The canonical SMILES for naphtho[2,1-f]isoquinoline is c1ccc2c(c1)ccc1c3ccncc3ccc21.
What is the InChIKey of naphtho[2,1-f]isoquinoline?
The InChIKey is ACIUFBMENRNYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N/c1-2-4-14-12(3-1)5-7-17-15-9-10-18-11-13(15)6-8-16(14)17/h1-11H.
What are the key properties of naphtho[2,1-f]isoquinoline?
naphtho[2,1-f]isoquinoline has a molecular weight of 229.28 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-f]isoquinoline is sourced from PubChem (CID 9172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).