N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine

C16H16N4 — CID 63587516

IUPACN-[1-(4-aminophenyl)ethyl]cinnolin-4-amine
SMILESCC(Nc1cnnc2ccccc12)c1ccc(N)cc1
InChIInChI=1S/C16H16N4/c1-11(12-6-8-13(17)9-7-12)19-16-10-18-20-15-5-3-2-4-14(15)16/h2-11H,17H2,1H3,(H,19,20)
InChIKeyRMWBEPQYSBBHMG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.39
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine

N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine (PubChem CID 63587516) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]cinnolin-4-amine
PubChem CID63587516
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[1-(4-aminophenyl)ethyl]cinnolin-4-amine
SMILESCC(Nc1cnnc2ccccc12)c1ccc(N)cc1
InChIInChI=1S/C16H16N4/c1-11(12-6-8-13(17)9-7-12)19-16-10-18-20-15-5-3-2-4-14(15)16/h2-11H,17H2,1H3,(H,19,20)
InChIKeyRMWBEPQYSBBHMG-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.39
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

N-propan-2-ylcinnolin-4-amine
CID 39733520
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
1-(4-aminophenyl)-2-(cinnolin-4-ylamino)ethanol
CID 63586762
N-[1-(furan-2-yl)ethyl]cinnolin-4-amine
CID 55213775
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cinnolin-4-amine
CID 63587506
3-(cinnolin-4-ylamino)butan-1-ol
CID 83187349
2-(cinnolin-4-ylamino)-3-methylbutan-1-ol
CID 79246033
N-methylcinnolin-4-amine
CID 6412705
cinnolin-4-ylhydrazine
CID 39733519
N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204777
N-hexan-2-ylcinnolin-4-amine
CID 63586030
3-N-cinnolin-4-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 55215132

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine (CID 63587516) is N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine is CC(Nc1cnnc2ccccc12)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine?
The InChIKey is RMWBEPQYSBBHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11(12-6-8-13(17)9-7-12)19-16-10-18-20-15-5-3-2-4-14(15)16/h2-11H,17H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine?
N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine is sourced from PubChem (CID 63587516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).