benzo[f]isoquinolin-8-amine

C13H10N2 — CID 101109295

IUPACbenzo[f]isoquinolin-8-amine
SMILESNc1ccc2c(ccc3cnccc32)c1
InChIInChI=1S/C13H10N2/c14-11-3-4-12-9(7-11)1-2-10-8-15-6-5-13(10)12/h1-8H,14H2
InChIKeyZMDXPNRPPDTZHW-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.97
Rot. Bonds

About benzo[f]isoquinolin-8-amine

benzo[f]isoquinolin-8-amine (PubChem CID 101109295) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is benzo[f]isoquinolin-8-amine.

Molecular Properties

Compound Namebenzo[f]isoquinolin-8-amine
PubChem CID101109295
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Namebenzo[f]isoquinolin-8-amine
SMILESNc1ccc2c(ccc3cnccc32)c1
InChIInChI=1S/C13H10N2/c14-11-3-4-12-9(7-11)1-2-10-8-15-6-5-13(10)12/h1-8H,14H2
InChIKeyZMDXPNRPPDTZHW-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8-phenanthroline
CID 13064691
ethane;isoquinolin-6-amine
CID 143931414
5-iodoisoquinolin-7-amine
CID 118703454
[1]benzothiolo[2,3-c]pyridin-7-amine
CID 118861170
hexahelicene-3,14-diamine
CID 102491196
4-chloroisoquinolin-7-amine
CID 66642706
isoquinolin-7-amine;7-nitroisoquinoline
CID 23211043
4-(3,5-dimethylphenyl)benzo[f]isoquinolin-8-amine
CID 171576489
1-bromoisoquinolin-6-amine
CID 150153113
ethane;isoquinolin-5-amine
CID 143675367
4-(4-aminophenoxy)isoquinolin-7-amine
CID 66642834
6-pyridin-3-ylisoquinolin-5-amine
CID 82583202

Frequently Asked Questions

What is the IUPAC name of benzo[f]isoquinolin-8-amine?
The IUPAC name of benzo[f]isoquinolin-8-amine (CID 101109295) is benzo[f]isoquinolin-8-amine.
What is the SMILES notation for benzo[f]isoquinolin-8-amine?
The canonical SMILES for benzo[f]isoquinolin-8-amine is Nc1ccc2c(ccc3cnccc32)c1.
What is the InChIKey of benzo[f]isoquinolin-8-amine?
The InChIKey is ZMDXPNRPPDTZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c14-11-3-4-12-9(7-11)1-2-10-8-15-6-5-13(10)12/h1-8H,14H2.
What are the key properties of benzo[f]isoquinolin-8-amine?
benzo[f]isoquinolin-8-amine has a molecular weight of 194.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]isoquinolin-8-amine is sourced from PubChem (CID 101109295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).