5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline

C22H26N4O4 — CID 71622474

IUPAC5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cccc(N2CCN(c3ncnc4cc(OC)c(OC)c(OC)c34)CC2)c1
InChIInChI=1S/C22H26N4O4/c1-27-16-7-5-6-15(12-16)25-8-10-26(11-9-25)22-19-17(23-14-24-22)13-18(28-2)20(29-3)21(19)30-4/h5-7,12-14H,8-11H2,1-4H3
InChIKeySDDWLQABGANCIG-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.99
Rot. Bonds6

About 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline

5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline (PubChem CID 71622474) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline
PubChem CID71622474
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline
SMILESCOc1cccc(N2CCN(c3ncnc4cc(OC)c(OC)c(OC)c34)CC2)c1
InChIInChI=1S/C22H26N4O4/c1-27-16-7-5-6-15(12-16)25-8-10-26(11-9-25)22-19-17(23-14-24-22)13-18(28-2)20(29-3)21(19)30-4/h5-7,12-14H,8-11H2,1-4H3
InChIKeySDDWLQABGANCIG-UHFFFAOYSA-N
XLogP2.99
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 71622340
3-bromo-4-[4-(3-methoxyphenyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 67161351
12-[4-(3-methoxyphenyl)piperazin-1-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 9181262
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340163
4-[4-(3-methoxyphenyl)piperazin-1-yl]-8-methyl-5H-pyrimido[5,4-b]indole
CID 3851961
4-[4-(3-methoxyphenyl)piperazin-1-yl]-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4617707
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
1-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 154829029
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
The IUPAC name of 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline (CID 71622474) is 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline.
What is the SMILES notation for 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
The canonical SMILES for 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline is COc1cccc(N2CCN(c3ncnc4cc(OC)c(OC)c(OC)c34)CC2)c1.
What is the InChIKey of 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
The InChIKey is SDDWLQABGANCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-27-16-7-5-6-15(12-16)25-8-10-26(11-9-25)22-19-17(23-14-24-22)13-18(28-2)20(29-3)21(19)30-4/h5-7,12-14H,8-11H2,1-4H3.
What are the key properties of 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline?
5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline has a molecular weight of 410.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline is sourced from PubChem (CID 71622474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).