2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline

C19H28N4O — CID 3076014

IUPAC2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline
SMILESCCCCCOc1nc(N2CCN(CC)CC2)nc2ccccc12
InChIInChI=1S/C19H28N4O/c1-3-5-8-15-24-18-16-9-6-7-10-17(16)20-19(21-18)23-13-11-22(4-2)12-14-23/h6-7,9-10H,3-5,8,11-15H2,1-2H3
InChIKeyHGPJHAMSXURHKL-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.34
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline

2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline (PubChem CID 3076014) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline
PubChem CID3076014
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline
SMILESCCCCCOc1nc(N2CCN(CC)CC2)nc2ccccc12
InChIInChI=1S/C19H28N4O/c1-3-5-8-15-24-18-16-9-6-7-10-17(16)20-19(21-18)23-13-11-22(4-2)12-14-23/h6-7,9-10H,3-5,8,11-15H2,1-2H3
InChIKeyHGPJHAMSXURHKL-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline (CID 3076014) is 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline is CCCCCOc1nc(N2CCN(CC)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline?
The InChIKey is HGPJHAMSXURHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-5-8-15-24-18-16-9-6-7-10-17(16)20-19(21-18)23-13-11-22(4-2)12-14-23/h6-7,9-10H,3-5,8,11-15H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline?
2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline has a molecular weight of 328.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline is sourced from PubChem (CID 3076014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).