6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline

C21H24N4 — CID 21002638

IUPAC6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
SMILESCCc1ccc2ncnc(N3CCN(c4cccc(C)c4)CC3)c2c1
InChIInChI=1S/C21H24N4/c1-3-17-7-8-20-19(14-17)21(23-15-22-20)25-11-9-24(10-12-25)18-6-4-5-16(2)13-18/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyHZWMXWYWIOPLLN-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.83
Rot. Bonds3

About 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline

6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline (PubChem CID 21002638) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
PubChem CID21002638
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline
SMILESCCc1ccc2ncnc(N3CCN(c4cccc(C)c4)CC3)c2c1
InChIInChI=1S/C21H24N4/c1-3-17-7-8-20-19(14-17)21(23-15-22-20)25-11-9-24(10-12-25)18-6-4-5-16(2)13-18/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyHZWMXWYWIOPLLN-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-4-(4-methylpiperazin-1-yl)quinazoline
CID 21002576
4-[4-(3-methylphenyl)piperazin-1-yl]-6-(1H-pyrazol-1-ium-4-yl)quinazoline
CID 163459861
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081540
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethylquinazoline
CID 21002637
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylquinazoline
CID 112843750
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
6-bromo-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline
CID 22031431
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
1-(3-methylphenyl)piperidine;propane
CID 143942273

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline (CID 21002638) is 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline is CCc1ccc2ncnc(N3CCN(c4cccc(C)c4)CC3)c2c1.
What is the InChIKey of 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline?
The InChIKey is HZWMXWYWIOPLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-17-7-8-20-19(14-17)21(23-15-22-20)25-11-9-24(10-12-25)18-6-4-5-16(2)13-18/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline?
6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline has a molecular weight of 332.45 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 21002638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).