6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline

C16H22N4O — CID 126895251

IUPAC6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1ncnc2ccc(N3CCN(C)CC3)cc12
InChIInChI=1S/C16H22N4O/c1-12(2)21-16-14-10-13(4-5-15(14)17-11-18-16)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQEVZUPKRNXGFTP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.17
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline

6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline (PubChem CID 126895251) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
PubChem CID126895251
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
SMILESCC(C)Oc1ncnc2ccc(N3CCN(C)CC3)cc12
InChIInChI=1S/C16H22N4O/c1-12(2)21-16-14-10-13(4-5-15(14)17-11-18-16)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQEVZUPKRNXGFTP-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
CID 126895258
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994
2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
CID 126895013
5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895138
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline (CID 126895251) is 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline is CC(C)Oc1ncnc2ccc(N3CCN(C)CC3)cc12.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline?
The InChIKey is QEVZUPKRNXGFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)21-16-14-10-13(4-5-15(14)17-11-18-16)20-8-6-19(3)7-9-20/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline?
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline has a molecular weight of 286.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline is sourced from PubChem (CID 126895251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).