furo[2,3-c]isoquinoline-5,8-diamine

C11H9N3O — CID 141166319

IUPACfuro[2,3-c]isoquinoline-5,8-diamine
SMILESNc1ccc2c(N)nc3occc3c2c1
InChIInChI=1S/C11H9N3O/c12-6-1-2-7-9(5-6)8-3-4-15-11(8)14-10(7)13/h1-5H,12H2,(H2,13,14)
InChIKeySCLRUAXRWWDKAU-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.15
Rot. Bonds

About furo[2,3-c]isoquinoline-5,8-diamine

furo[2,3-c]isoquinoline-5,8-diamine (PubChem CID 141166319) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is furo[2,3-c]isoquinoline-5,8-diamine.

Molecular Properties

Compound Namefuro[2,3-c]isoquinoline-5,8-diamine
PubChem CID141166319
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Namefuro[2,3-c]isoquinoline-5,8-diamine
SMILESNc1ccc2c(N)nc3occc3c2c1
InChIInChI=1S/C11H9N3O/c12-6-1-2-7-9(5-6)8-3-4-15-11(8)14-10(7)13/h1-5H,12H2,(H2,13,14)
InChIKeySCLRUAXRWWDKAU-UHFFFAOYSA-N
XLogP2.15
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3H-furo[2,3-d]pyrimidin-4-one
CID 13302347
4,6-dichlorofuro[2,3-b]pyridine
CID 122129719
1-benzofuran-6-amine;hydrochloride
CID 119057046
12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-5,19-diamine
CID 176729850
rubicene-5,12-diamine
CID 15635222
3-fluoro-1-benzofuran-5-amine
CID 105429508
furo[2,3-d]pyridazine-4,7-diamine
CID 45079074
1-bromoisoquinolin-6-amine
CID 150153113
6-amino-2-[6-(6-amino-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one
CID 59140890
hexahelicene-3,14-diamine
CID 102491196
anthracene-2,9,10-triamine
CID 46872427
11,12-dimethylphenanthro[9,10-b]quinoxaline-2,7-diamine
CID 14121429

Frequently Asked Questions

What is the IUPAC name of furo[2,3-c]isoquinoline-5,8-diamine?
The IUPAC name of furo[2,3-c]isoquinoline-5,8-diamine (CID 141166319) is furo[2,3-c]isoquinoline-5,8-diamine.
What is the SMILES notation for furo[2,3-c]isoquinoline-5,8-diamine?
The canonical SMILES for furo[2,3-c]isoquinoline-5,8-diamine is Nc1ccc2c(N)nc3occc3c2c1.
What is the InChIKey of furo[2,3-c]isoquinoline-5,8-diamine?
The InChIKey is SCLRUAXRWWDKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-6-1-2-7-9(5-6)8-3-4-15-11(8)14-10(7)13/h1-5H,12H2,(H2,13,14).
What are the key properties of furo[2,3-c]isoquinoline-5,8-diamine?
furo[2,3-c]isoquinoline-5,8-diamine has a molecular weight of 199.21 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furo[2,3-c]isoquinoline-5,8-diamine is sourced from PubChem (CID 141166319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).