N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C23H26FN3O3 — CID 86940680

IUPACN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC(COc3ccccc3F)C(C)(C)C)cnc12
InChIInChI=1S/C23H26FN3O3/c1-15-8-7-9-16-21(15)25-14-27(22(16)29)12-20(28)26-19(23(2,3)4)13-30-18-11-6-5-10-17(18)24/h5-11,14,19H,12-13H2,1-4H3,(H,26,28)
InChIKeyAGVUGQIKPGRCJL-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.45
Rot. Bonds6

About N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 86940680) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID86940680
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC(COc3ccccc3F)C(C)(C)C)cnc12
InChIInChI=1S/C23H26FN3O3/c1-15-8-7-9-16-21(15)25-14-27(22(16)29)12-20(28)26-19(23(2,3)4)13-30-18-11-6-5-10-17(18)24/h5-11,14,19H,12-13H2,1-4H3,(H,26,28)
InChIKeyAGVUGQIKPGRCJL-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
CID 150829256
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]acetamide
CID 86941016
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
CID 86940685
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-8-methylquinazolin-4-one
CID 111149302
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 24655621

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 86940680) is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NC(COc3ccccc3F)C(C)(C)C)cnc12.
What is the InChIKey of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is AGVUGQIKPGRCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-15-8-7-9-16-21(15)25-14-27(22(16)29)12-20(28)26-19(23(2,3)4)13-30-18-11-6-5-10-17(18)24/h5-11,14,19H,12-13H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 86940680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).