N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide

C27H27N3O5 — CID 15996905

IUPACN-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5/c1-16-10-11-20(17(2)12-16)28-24(31)15-30-26(29-21-9-7-6-8-19(21)27(30)32)18-13-22(33-3)25(35-5)23(14-18)34-4/h6-14H,15H2,1-5H3,(H,28,31)
InChIKeyLSMLOKMIJLMBQC-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.34
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide

N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide (PubChem CID 15996905) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
PubChem CID15996905
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5/c1-16-10-11-20(17(2)12-16)28-24(31)15-30-26(29-21-9-7-6-8-19(21)27(30)32)18-13-22(33-3)25(35-5)23(14-18)34-4/h6-14H,15H2,1-5H3,(H,28,31)
InChIKeyLSMLOKMIJLMBQC-UHFFFAOYSA-N
XLogP4.34
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
N-(2,4-dimethylphenyl)-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1143007
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 4134025
N-(2,4-dimethylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409130
N-(2,4-dimethylphenyl)-2-[[4-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3170119
3-[(4-tert-butylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 15996903
N-(2,4-dimethylphenyl)-2-[[4-methyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1132443
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 7582889
N-[(4-methylphenyl)carbamothioyl]-2-(4-oxo-2-phenylquinazolin-3-yl)acetamide
CID 3055152
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 4984690
2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126476982

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide (CID 15996905) is N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide is COc1cc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
The InChIKey is LSMLOKMIJLMBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-16-10-11-20(17(2)12-16)28-24(31)15-30-26(29-21-9-7-6-8-19(21)27(30)32)18-13-22(33-3)25(35-5)23(14-18)34-4/h6-14H,15H2,1-5H3,(H,28,31).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]acetamide is sourced from PubChem (CID 15996905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).