3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide

C22H25N3O5 — CID 3226429

IUPAC3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1cc(C(=O)Nn2c(CC(C)C)nc3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-13(2)10-19-23-16-9-7-6-8-15(16)22(27)25(19)24-21(26)14-11-17(28-3)20(30-5)18(12-14)29-4/h6-9,11-13H,10H2,1-5H3,(H,24,26)
InChIKeyZAJNUXUVLGVLHA-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.00
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide

3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 3226429) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID3226429
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide
SMILESCOc1cc(C(=O)Nn2c(CC(C)C)nc3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5/c1-13(2)10-19-23-16-9-7-6-8-15(16)22(27)25(19)24-21(26)14-11-17(28-3)20(30-5)18(12-14)29-4/h6-9,11-13H,10H2,1-5H3,(H,24,26)
InChIKeyZAJNUXUVLGVLHA-UHFFFAOYSA-N
XLogP3.00
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide (CID 3226429) is 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide is COc1cc(C(=O)Nn2c(CC(C)C)nc3ccccc3c2=O)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is ZAJNUXUVLGVLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-13(2)10-19-23-16-9-7-6-8-15(16)22(27)25(19)24-21(26)14-11-17(28-3)20(30-5)18(12-14)29-4/h6-9,11-13H,10H2,1-5H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide?
3,4,5-trimethoxy-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.00, 7 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-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 3226429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).