4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline

C20H30N4O — CID 3076012

IUPAC4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline
SMILESCCCCCOc1nc(N2CCN(CCC)CC2)nc2ccccc12
InChIInChI=1S/C20H30N4O/c1-3-5-8-16-25-19-17-9-6-7-10-18(17)21-20(22-19)24-14-12-23(11-4-2)13-15-24/h6-7,9-10H,3-5,8,11-16H2,1-2H3
InChIKeyBIKNQNXQYZDXFW-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.73
Rot. Bonds8

About 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline

4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline (PubChem CID 3076012) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline
PubChem CID3076012
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline
SMILESCCCCCOc1nc(N2CCN(CCC)CC2)nc2ccccc12
InChIInChI=1S/C20H30N4O/c1-3-5-8-16-25-19-17-9-6-7-10-18(17)21-20(22-19)24-14-12-23(11-4-2)13-15-24/h6-7,9-10H,3-5,8,11-16H2,1-2H3
InChIKeyBIKNQNXQYZDXFW-UHFFFAOYSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.73
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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Related Compounds

Fenazaquin
CID 86356
Verubulin
CID 11414799
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
CP-31398
CID 9950868
2,4-Quinazolinediamine, 5-ethoxy-
CID 461900
Enecadin
CID 6433114
1-(4-Methoxy-6-methylquinazolin-2-yl)guanidine
CID 600062
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
4-Methoxyquinazoline
CID 27831
(7-Ethoxy-4-methylquinazolin-2-yl)(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)amine
CID 658668
5-[(4-Methylbenzyl)oxy]quinazoline-2,4-diamine
CID 2824489
2-(4-Ethoxy-8-methylquinazolin-2-yl)guanidine
CID 2869867

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline (CID 3076012) is 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline is CCCCCOc1nc(N2CCN(CCC)CC2)nc2ccccc12.
What is the InChIKey of 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline?
The InChIKey is BIKNQNXQYZDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-5-8-16-25-19-17-9-6-7-10-18(17)21-20(22-19)24-14-12-23(11-4-2)13-15-24/h6-7,9-10H,3-5,8,11-16H2,1-2H3.
What are the key properties of 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline?
4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline has a molecular weight of 342.49 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-2-(4-propylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 3076012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).