2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide

C18H16FN3O3 — CID 136767922

IUPAC2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
SMILESO=C(COc1cccc(F)c1)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16FN3O3/c19-12-4-3-5-13(10-12)25-11-17(23)20-9-8-16-21-15-7-2-1-6-14(15)18(24)22-16/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22,24)
InChIKeyNTZDDSFFCMHCHP-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.80
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide

2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide (PubChem CID 136767922) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
PubChem CID136767922
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
SMILESO=C(COc1cccc(F)c1)NCCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16FN3O3/c19-12-4-3-5-13(10-12)25-11-17(23)20-9-8-16-21-15-7-2-1-6-14(15)18(24)22-16/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22,24)
InChIKeyNTZDDSFFCMHCHP-UHFFFAOYSA-N
XLogP1.80
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trifluorophenoxy)acetamide
CID 59018354
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 59018258
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-(1,3-benzothiazol-2-ylmethyl)-2-(3-fluorophenoxy)acetamide
CID 18110682
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 137210262
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137303645
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide (CID 136767922) is 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide is O=C(COc1cccc(F)c1)NCCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
The InChIKey is NTZDDSFFCMHCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-12-4-3-5-13(10-12)25-11-17(23)20-9-8-16-21-15-7-2-1-6-14(15)18(24)22-16/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22,24).
What are the key properties of 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide?
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 136767922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).