2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide

C22H26N4O4 — CID 8680424

IUPAC2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCOc1cc(C)c(CN(C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1OC
InChIInChI=1S/C22H26N4O4/c1-14-9-18(29-3)19(30-4)10-15(14)11-25(2)13-21-24-17-8-6-5-7-16(17)22(28)26(21)12-20(23)27/h5-10H,11-13H2,1-4H3,(H2,23,27)
InChIKeyZOTRHGDOQVHQNZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.84
Rot. Bonds8

About 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide

2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide (PubChem CID 8680424) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
PubChem CID8680424
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
SMILESCOc1cc(C)c(CN(C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1OC
InChIInChI=1S/C22H26N4O4/c1-14-9-18(29-3)19(30-4)10-15(14)11-25(2)13-21-24-17-8-6-5-7-16(17)22(28)26(21)12-20(23)27/h5-10H,11-13H2,1-4H3,(H2,23,27)
InChIKeyZOTRHGDOQVHQNZ-UHFFFAOYSA-N
XLogP1.84
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8538765
2-[2-[[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 24681168
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695677
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 8681201
2-[2-[[[2-(2-methylanilino)-2-oxoethyl]-propylamino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 8810130
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 112800383
2-[2-(azocan-1-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 8679806
methyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate
CID 8754555
2-[2-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 51565387
2-[2-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]-4-oxoquinazolin-3-yl]acetamide
CID 9132793
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-[(5-chlorothiophen-2-yl)methyl]-methylazanium
CID 8787126
[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16572312

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide (CID 8680424) is 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide is COc1cc(C)c(CN(C)Cc2nc3ccccc3c(=O)n2CC(N)=O)cc1OC.
What is the InChIKey of 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is ZOTRHGDOQVHQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-14-9-18(29-3)19(30-4)10-15(14)11-25(2)13-21-24-17-8-6-5-7-16(17)22(28)26(21)12-20(23)27/h5-10H,11-13H2,1-4H3,(H2,23,27).
What are the key properties of 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide?
2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 8680424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).