2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine

C18H24N6 — CID 50976321

IUPAC2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
SMILESCCc1nccn1CCCNc1nc(CCN)nc2ccccc12
InChIInChI=1S/C18H24N6/c1-2-17-20-11-13-24(17)12-5-10-21-18-14-6-3-4-7-15(14)22-16(23-18)8-9-19/h3-4,6-7,11,13H,2,5,8-10,12,19H2,1H3,(H,21,22,23)
InChIKeyGKXQGUFOSCIKGM-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds8

About 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine

2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine (PubChem CID 50976321) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
PubChem CID50976321
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine
SMILESCCc1nccn1CCCNc1nc(CCN)nc2ccccc12
InChIInChI=1S/C18H24N6/c1-2-17-20-11-13-24(17)12-5-10-21-18-14-6-3-4-7-15(14)22-16(23-18)8-9-19/h3-4,6-7,11,13H,2,5,8-10,12,19H2,1H3,(H,21,22,23)
InChIKeyGKXQGUFOSCIKGM-UHFFFAOYSA-N
XLogP2.39
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine (CID 50976321) is 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine is CCc1nccn1CCCNc1nc(CCN)nc2ccccc12.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine?
The InChIKey is GKXQGUFOSCIKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-2-17-20-11-13-24(17)12-5-10-21-18-14-6-3-4-7-15(14)22-16(23-18)8-9-19/h3-4,6-7,11,13H,2,5,8-10,12,19H2,1H3,(H,21,22,23).
What are the key properties of 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine?
2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[3-(2-ethylimidazol-1-yl)propyl]quinazolin-4-amine is sourced from PubChem (CID 50976321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).