N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

C20H19F2N3O5 — CID 38085602

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(OC(F)F)c2)c1=O
InChIInChI=1S/C20H19F2N3O5/c1-3-24-18(27)13-6-4-5-7-14(13)25(20(24)28)11-17(26)23-12-8-9-15(29-2)16(10-12)30-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,23,26)
InChIKeyHQBDDSIJXWBSHP-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.43
Rot. Bonds7

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 38085602) has the molecular formula C20H19F2N3O5 and a molecular weight of 419.38 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID38085602
Molecular FormulaC20H19F2N3O5
Molecular Weight419.38 g/mol
Exact Mass419.13
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(OC(F)F)c2)c1=O
InChIInChI=1S/C20H19F2N3O5/c1-3-24-18(27)13-6-4-5-7-14(13)25(20(24)28)11-17(26)23-12-8-9-15(29-2)16(10-12)30-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,23,26)
InChIKeyHQBDDSIJXWBSHP-UHFFFAOYSA-N
XLogP2.43
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575508
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46643858
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486215
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 38085602) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(OC)c(OC(F)F)c2)c1=O.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is HQBDDSIJXWBSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O5/c1-3-24-18(27)13-6-4-5-7-14(13)25(20(24)28)11-17(26)23-12-8-9-15(29-2)16(10-12)30-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 419.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 38085602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).