2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline

C21H30N4O — CID 20981712

IUPAC2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline
SMILESCC=CCC1CNCCN1c1nc(OCCCCC)c2ccccc2n1
InChIInChI=1S/C21H30N4O/c1-3-5-9-15-26-20-18-11-7-8-12-19(18)23-21(24-20)25-14-13-22-16-17(25)10-6-4-2/h4,6-8,11-12,17,22H,3,5,9-10,13-16H2,1-2H3
InChIKeyLNGJRHLZWZBPGM-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.94
Rot. Bonds8

About 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline

2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline (PubChem CID 20981712) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline.

Molecular Properties

Compound Name2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline
PubChem CID20981712
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline
SMILESCC=CCC1CNCCN1c1nc(OCCCCC)c2ccccc2n1
InChIInChI=1S/C21H30N4O/c1-3-5-9-15-26-20-18-11-7-8-12-19(18)23-21(24-20)25-14-13-22-16-17(25)10-6-4-2/h4,6-8,11-12,17,22H,3,5,9-10,13-16H2,1-2H3
InChIKeyLNGJRHLZWZBPGM-UHFFFAOYSA-N
XLogP3.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline
CID 3076014
4-(2-ethylpiperazin-1-yl)-2-methylquinoline
CID 63602882
(E)-4-(2-piperazin-1-ylquinazolin-4-yl)oxybut-2-en-1-ol
CID 67754103
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
(E)-but-2-enedioic acid;2-(4-methylpiperazin-1-yl)-4-propoxyquinazoline
CID 6449169
(2S,3S)-1-(2-piperazin-1-ylquinazolin-4-yl)oxybutane-2,3-diol
CID 57153789
tris((E)-but-2-enedioate);bis(4-butoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline)
CID 20841196
2,3-didodecoxyquinoxaline
CID 139934452
1-phenyl-2-propylpiperazine
CID 70549920
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
2-(2-pentylpiperazin-1-yl)aniline
CID 70084517
4-pentoxyquinolin-2-amine
CID 118174578

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline?
The IUPAC name of 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline (CID 20981712) is 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline.
What is the SMILES notation for 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline?
The canonical SMILES for 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline is CC=CCC1CNCCN1c1nc(OCCCCC)c2ccccc2n1.
What is the InChIKey of 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline?
The InChIKey is LNGJRHLZWZBPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-5-9-15-26-20-18-11-7-8-12-19(18)23-21(24-20)25-14-13-22-16-17(25)10-6-4-2/h4,6-8,11-12,17,22H,3,5,9-10,13-16H2,1-2H3.
What are the key properties of 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline?
2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline has a molecular weight of 354.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-2-enylpiperazin-1-yl)-4-pentoxyquinazoline is sourced from PubChem (CID 20981712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).