2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C20H21F2N3O4 — CID 55599170

IUPAC2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C20H21F2N3O4/c1-23-17(26)11-25-14-7-5-4-6-13(14)19(27)24(2)18(25)12-8-9-15(28-3)16(10-12)29-20(21)22/h4-10,18,20H,11H2,1-3H3,(H,23,26)
InChIKeyBLINWQAGSUNJRU-UHFFFAOYSA-N
MW405.40 g/mol
LogP2.63
Rot. Bonds6

About 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 55599170) has the molecular formula C20H21F2N3O4 and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID55599170
Molecular FormulaC20H21F2N3O4
Molecular Weight405.40 g/mol
Exact Mass405.15
IUPAC Name2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)C1c1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C20H21F2N3O4/c1-23-17(26)11-25-14-7-5-4-6-13(14)19(27)24(2)18(25)12-8-9-15(28-3)16(10-12)29-20(21)22/h4-10,18,20H,11H2,1-3H3,(H,23,26)
InChIKeyBLINWQAGSUNJRU-UHFFFAOYSA-N
XLogP2.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 55598140
2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 94065470
2-[2-(4-fluorophenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 47025358
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 1109453
2-[2-(1-benzothiophen-3-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 71897725
2-[(2R)-2-(4-bromothiophen-2-yl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 30872763
N-methyl-2-[(2R)-3-methyl-2-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-4-oxo-2H-quinazolin-1-yl]acetamide
CID 124829810
N-methyl-2-[3-methyl-2-(3-methylfuran-2-yl)-4-oxo-2H-quinazolin-1-yl]acetamide
CID 84584813
2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 51936715
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 34624107
(2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-phenyl-1,2-dihydroquinazolin-4-one
CID 9006981

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 55599170) is 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)C1c1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is BLINWQAGSUNJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O4/c1-23-17(26)11-25-14-7-5-4-6-13(14)19(27)24(2)18(25)12-8-9-15(28-3)16(10-12)29-20(21)22/h4-10,18,20H,11H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 405.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55599170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).