3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

C26H25N3O6 — CID 43988488

IUPAC3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCOc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H25N3O6/c1-15-27-19-9-7-6-8-18(19)26(31)29(15)17-10-11-20(21(14-17)32-2)28-25(30)16-12-22(33-3)24(35-5)23(13-16)34-4/h6-14H,1-5H3,(H,28,30)
InChIKeyQELLBYZLRWSICU-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.98
Rot. Bonds7

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

3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 43988488) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID43988488
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCOc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H25N3O6/c1-15-27-19-9-7-6-8-18(19)26(31)29(15)17-10-11-20(21(14-17)32-2)28-25(30)16-12-22(33-3)24(35-5)23(13-16)34-4/h6-14H,1-5H3,(H,28,30)
InChIKeyQELLBYZLRWSICU-UHFFFAOYSA-N
XLogP3.98
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3,5-dinitrobenzamide
CID 43988567
4-butoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988524
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxyacetamide
CID 43988539
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-methyl-3-nitrobenzamide
CID 43988521
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 16830447
N-(5-cyano-2-methoxyphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 49182677
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiophene-2-sulfonamide
CID 30600704
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077206

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 43988488) is 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is COc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is QELLBYZLRWSICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-15-27-19-9-7-6-8-18(19)26(31)29(15)17-10-11-20(21(14-17)32-2)28-25(30)16-12-22(33-3)24(35-5)23(13-16)34-4/h6-14H,1-5H3,(H,28,30).
What are the key properties of 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 475.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 43988488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).