3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one

C19H18N2O5 — CID 164626557

IUPAC3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one
SMILESCOc1cc(C(=O)c2nc3ccccc3c(=O)n2C)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-21-18(20-13-8-6-5-7-12(13)19(21)23)16(22)11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10H,1-4H3
InChIKeySUXBXXNEIVFPTK-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.19
Rot. Bonds5

About 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one

3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one (PubChem CID 164626557) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one
PubChem CID164626557
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one
SMILESCOc1cc(C(=O)c2nc3ccccc3c(=O)n2C)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-21-18(20-13-8-6-5-7-12(13)19(21)23)16(22)11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10H,1-4H3
InChIKeySUXBXXNEIVFPTK-UHFFFAOYSA-N
XLogP2.19
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one?
The IUPAC name of 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one (CID 164626557) is 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one?
The canonical SMILES for 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one is COc1cc(C(=O)c2nc3ccccc3c(=O)n2C)cc(OC)c1OC.
What is the InChIKey of 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one?
The InChIKey is SUXBXXNEIVFPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-21-18(20-13-8-6-5-7-12(13)19(21)23)16(22)11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10H,1-4H3.
What are the key properties of 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one?
3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one has a molecular weight of 354.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one is sourced from PubChem (CID 164626557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).