3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide

C25H30N4O4 — CID 6621232

IUPAC3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C25H30N4O4/c1-16-12-23(29-10-8-28(2)9-11-29)27-20-7-6-18(15-19(16)20)26-25(30)17-13-21(31-3)24(33-5)22(14-17)32-4/h6-7,12-15H,8-11H2,1-5H3,(H,26,30)
InChIKeyPCBGAJAEBQQUGT-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.57
Rot. Bonds6

About 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide

3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide (PubChem CID 6621232) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
PubChem CID6621232
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc(OC)c1OC
InChIInChI=1S/C25H30N4O4/c1-16-12-23(29-10-8-28(2)9-11-29)27-20-7-6-18(15-19(16)20)26-25(30)17-13-21(31-3)24(33-5)22(14-17)32-4/h6-7,12-15H,8-11H2,1-5H3,(H,26,30)
InChIKeyPCBGAJAEBQQUGT-UHFFFAOYSA-N
XLogP3.57
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide (CID 6621232) is 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide is COc1cc(C(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
The InChIKey is PCBGAJAEBQQUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-16-12-23(29-10-8-28(2)9-11-29)27-20-7-6-18(15-19(16)20)26-25(30)17-13-21(31-3)24(33-5)22(14-17)32-4/h6-7,12-15H,8-11H2,1-5H3,(H,26,30).
What are the key properties of 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide?
3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]benzamide is sourced from PubChem (CID 6621232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).