N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide

C18H21FN4O2 — CID 126853932

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
SMILESCN(C)c1ncc2c(n1)CCC(NC(=O)COc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O2/c1-23(2)18-20-10-12-9-13(7-8-15(12)22-18)21-17(24)11-25-16-6-4-3-5-14(16)19/h3-6,10,13H,7-9,11H2,1-2H3,(H,21,24)
InChIKeyXARILOBOJHRPOC-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 126853932) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID126853932
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
SMILESCN(C)c1ncc2c(n1)CCC(NC(=O)COc1ccccc1F)C2
InChIInChI=1S/C18H21FN4O2/c1-23(2)18-20-10-12-9-13(7-8-15(12)22-18)21-17(24)11-25-16-6-4-3-5-14(16)19/h3-6,10,13H,7-9,11H2,1-2H3,(H,21,24)
InChIKeyXARILOBOJHRPOC-UHFFFAOYSA-N
XLogP1.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
CID 126855492
2-benzylsulfanyl-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
CID 126853934
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide
CID 122319662
N-(3,3-dimethylcyclopentyl)-2-(2-fluorophenoxy)acetamide
CID 115880485
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-4-methylthiophene-2-carboxamide
CID 126853925
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 122354279
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 45115607
2-(2-fluorophenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62360872
1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 92563650

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide (CID 126853932) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide is CN(C)c1ncc2c(n1)CCC(NC(=O)COc1ccccc1F)C2.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is XARILOBOJHRPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-23(2)18-20-10-12-9-13(7-8-15(12)22-18)21-17(24)11-25-16-6-4-3-5-14(16)19/h3-6,10,13H,7-9,11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 344.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 126853932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).