N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine

C16H17N3O — CID 63587506

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine
SMILESCc1cc(C(C)Nc2cnnc3ccccc23)c(C)o1
InChIInChI=1S/C16H17N3O/c1-10-8-14(12(3)20-10)11(2)18-16-9-17-19-15-7-5-4-6-13(15)16/h4-9,11H,1-3H3,(H,18,19)
InChIKeyXYYZCPOXLQIXIU-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.01
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine (PubChem CID 63587506) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine
PubChem CID63587506
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine
SMILESCc1cc(C(C)Nc2cnnc3ccccc23)c(C)o1
InChIInChI=1S/C16H17N3O/c1-10-8-14(12(3)20-10)11(2)18-16-9-17-19-15-7-5-4-6-13(15)16/h4-9,11H,1-3H3,(H,18,19)
InChIKeyXYYZCPOXLQIXIU-UHFFFAOYSA-N
XLogP4.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine (CID 63587506) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine is Cc1cc(C(C)Nc2cnnc3ccccc23)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine?
The InChIKey is XYYZCPOXLQIXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-8-14(12(3)20-10)11(2)18-16-9-17-19-15-7-5-4-6-13(15)16/h4-9,11H,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 63587506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).