N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide

C19H19N3O5 — CID 4084799

IUPACN-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-21-14-7-5-4-6-13(14)18(24)22(19(21)25)11-17(23)20-12-8-9-15(26-2)16(10-12)27-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyRYYVKOHRNBMHCM-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.36
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide (PubChem CID 4084799) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
PubChem CID4084799
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)cc1OC
InChIInChI=1S/C19H19N3O5/c1-21-14-7-5-4-6-13(14)18(24)22(19(21)25)11-17(23)20-12-8-9-15(26-2)16(10-12)27-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyRYYVKOHRNBMHCM-UHFFFAOYSA-N
XLogP1.36
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18567331
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987
2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 46969733
N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956380
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide (CID 4084799) is N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide is COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The InChIKey is RYYVKOHRNBMHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-21-14-7-5-4-6-13(14)18(24)22(19(21)25)11-17(23)20-12-8-9-15(26-2)16(10-12)27-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide has a molecular weight of 369.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4084799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).