N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C21H21F2N3O3 — CID 55656108

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCC(NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccccc1OC(F)F
InChIInChI=1S/C21H21F2N3O3/c1-3-16(14-8-5-7-11-18(14)29-21(22)23)25-19(27)12-26-13(2)24-17-10-6-4-9-15(17)20(26)28/h4-11,16,21H,3,12H2,1-2H3,(H,25,27)
InChIKeyUZRYHIQJKJNGHJ-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.57
Rot. Bonds7

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55656108) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55656108
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCC(NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccccc1OC(F)F
InChIInChI=1S/C21H21F2N3O3/c1-3-16(14-8-5-7-11-18(14)29-21(22)23)25-19(27)12-26-13(2)24-17-10-6-4-9-15(17)20(26)28/h4-11,16,21H,3,12H2,1-2H3,(H,25,27)
InChIKeyUZRYHIQJKJNGHJ-UHFFFAOYSA-N
XLogP3.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55901941
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575508
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55656292
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55990247
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 55656206
3-(2-hydroxybutyl)-2-methylquinazolin-4-one
CID 154753235
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575513

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55656108) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is CCC(NC(=O)Cn1c(C)nc2ccccc2c1=O)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UZRYHIQJKJNGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-3-16(14-8-5-7-11-18(14)29-21(22)23)25-19(27)12-26-13(2)24-17-10-6-4-9-15(17)20(26)28/h4-11,16,21H,3,12H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 401.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55656108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).