N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C19H18F2N4O3 — CID 135833287

IUPACN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18F2N4O3/c1-25(10-16-23-15-5-3-2-4-14(15)18(27)24-16)11-17(26)22-12-6-8-13(9-7-12)28-19(20)21/h2-9,19H,10-11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyAXOHJQQSVBUYQB-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.60
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135833287) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135833287
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H18F2N4O3/c1-25(10-16-23-15-5-3-2-4-14(15)18(27)24-16)11-17(26)22-12-6-8-13(9-7-12)28-19(20)21/h2-9,19H,10-11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyAXOHJQQSVBUYQB-UHFFFAOYSA-N
XLogP2.60
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135833287) is N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CN(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is AXOHJQQSVBUYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-25(10-16-23-15-5-3-2-4-14(15)18(27)24-16)11-17(26)22-12-6-8-13(9-7-12)28-19(20)21/h2-9,19H,10-11H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 388.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135833287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).