4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline

C25H32N4O3 — CID 71622760

IUPAC4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline
SMILESCCOc1cc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c(OCC)c1OCC
InChIInChI=1S/C25H32N4O3/c1-4-30-21-16-20-22(24(32-6-3)23(21)31-5-2)25(27-18-26-20)29-14-12-28(13-15-29)17-19-10-8-7-9-11-19/h7-11,16,18H,4-6,12-15,17H2,1-3H3
InChIKeyLZXNGSVYZLLPRS-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.15
Rot. Bonds9

About 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline

4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline (PubChem CID 71622760) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline
PubChem CID71622760
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline
SMILESCCOc1cc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c(OCC)c1OCC
InChIInChI=1S/C25H32N4O3/c1-4-30-21-16-20-22(24(32-6-3)23(21)31-5-2)25(27-18-26-20)29-14-12-28(13-15-29)17-19-10-8-7-9-11-19/h7-11,16,18H,4-6,12-15,17H2,1-3H3
InChIKeyLZXNGSVYZLLPRS-UHFFFAOYSA-N
XLogP4.15
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
CID 1191450
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
(4-benzylpiperazin-1-yl)-(3-bromo-4,5-diethoxyphenyl)methanethione
CID 3913014
4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 46359635
4-(4-benzylpiperazin-1-yl)-6-nitroquinazoline
CID 3155791
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295
4-benzyl-N-(3,4,5-triethoxyphenyl)piperazine-1-carboxamide
CID 108869729
4-(4-benzylpiperazin-1-yl)-6-methylfuro[2,3-d]pyrimidine-5-carboxylic acid
CID 20873474
5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
CID 87057095

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline (CID 71622760) is 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline is CCOc1cc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c(OCC)c1OCC.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline?
The InChIKey is LZXNGSVYZLLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-4-30-21-16-20-22(24(32-6-3)23(21)31-5-2)25(27-18-26-20)29-14-12-28(13-15-29)17-19-10-8-7-9-11-19/h7-11,16,18H,4-6,12-15,17H2,1-3H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline?
4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline has a molecular weight of 436.56 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline is sourced from PubChem (CID 71622760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).