N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C23H24FN3O2 — CID 71897909

IUPACN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H24FN3O2/c24-18-11-9-17(10-12-18)13-14-27(19-5-1-2-6-19)22(28)15-26-16-25-21-8-4-3-7-20(21)23(26)29/h3-4,7-12,16,19H,1-2,5-6,13-15H2
InChIKeyUYRAITWTFOFJJS-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.55
Rot. Bonds6

About N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 71897909) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID71897909
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)N(CCc1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H24FN3O2/c24-18-11-9-17(10-12-18)13-14-27(19-5-1-2-6-19)22(28)15-26-16-25-21-8-4-3-7-20(21)23(26)29/h3-4,7-12,16,19H,1-2,5-6,13-15H2
InChIKeyUYRAITWTFOFJJS-UHFFFAOYSA-N
XLogP3.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 35753654
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 84993885
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 78853610
3-[2-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]quinazolin-4-one
CID 16674918
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 78853646
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 24562248
[(1R)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995387
[(1S)-2-oxocyclohexyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995390
N-cyclopropyl-3-(4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 38532450

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 71897909) is N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)N(CCc1ccc(F)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is UYRAITWTFOFJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-18-11-9-17(10-12-18)13-14-27(19-5-1-2-6-19)22(28)15-26-16-25-21-8-4-3-7-20(21)23(26)29/h3-4,7-12,16,19H,1-2,5-6,13-15H2.
What are the key properties of N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 393.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 71897909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).