4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline

C21H30N4O — CID 14644020

IUPAC4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
SMILESC=CCN1CCN(c2nc(OC(CC)C(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C21H30N4O/c1-5-11-24-12-14-25(15-13-24)21-22-18-10-8-7-9-17(18)20(23-21)26-19(6-2)16(3)4/h5,7-10,16,19H,1,6,11-15H2,2-4H3
InChIKeyWQRBOBDGHXYMFU-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.75
Rot. Bonds7

About 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline

4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline (PubChem CID 14644020) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
PubChem CID14644020
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
SMILESC=CCN1CCN(c2nc(OC(CC)C(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C21H30N4O/c1-5-11-24-12-14-25(15-13-24)21-22-18-10-8-7-9-17(18)20(23-21)26-19(6-2)16(3)4/h5,7-10,16,19H,1,6,11-15H2,2-4H3
InChIKeyWQRBOBDGHXYMFU-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline with MolForge

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Related Compounds

tris((E)-but-2-enedioate);bis(4-butoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline)
CID 20841196
2-(4-ethylpiperazin-1-yl)-4-pentoxyquinazoline
CID 3076014
(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
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964161
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)quinazolin-4-amine
CID 71690658
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91963216
2-[4-[4-(propylamino)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 91966252
(E)-4-(2-piperazin-1-ylquinazolin-4-yl)oxybut-2-en-1-ol
CID 67754103
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline (CID 14644020) is 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline is C=CCN1CCN(c2nc(OC(CC)C(C)C)c3ccccc3n2)CC1.
What is the InChIKey of 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
The InChIKey is WQRBOBDGHXYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-5-11-24-12-14-25(15-13-24)21-22-18-10-8-7-9-17(18)20(23-21)26-19(6-2)16(3)4/h5,7-10,16,19H,1,6,11-15H2,2-4H3.
What are the key properties of 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline?
4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline has a molecular weight of 354.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-3-yloxy)-2-(4-prop-2-enylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 14644020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).