2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide

C18H16FN3O3 — CID 10020180

IUPAC2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide
SMILESCc1nc2cc(OCc3cccc(F)c3)ccc2c(=O)n1CC(N)=O
InChIInChI=1S/C18H16FN3O3/c1-11-21-16-8-14(25-10-12-3-2-4-13(19)7-12)5-6-15(16)18(24)22(11)9-17(20)23/h2-8H,9-10H2,1H3,(H2,20,23)
InChIKeyRRXRFMIHPICJPZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.91
Rot. Bonds5

About 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide

2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide (PubChem CID 10020180) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide
PubChem CID10020180
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide
SMILESCc1nc2cc(OCc3cccc(F)c3)ccc2c(=O)n1CC(N)=O
InChIInChI=1S/C18H16FN3O3/c1-11-21-16-8-14(25-10-12-3-2-4-13(19)7-12)5-6-15(16)18(24)22(11)9-17(20)23/h2-8H,9-10H2,1H3,(H2,20,23)
InChIKeyRRXRFMIHPICJPZ-UHFFFAOYSA-N
XLogP1.91
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide (CID 10020180) is 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide is Cc1nc2cc(OCc3cccc(F)c3)ccc2c(=O)n1CC(N)=O.
What is the InChIKey of 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is RRXRFMIHPICJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-21-16-8-14(25-10-12-3-2-4-13(19)7-12)5-6-15(16)18(24)22(11)9-17(20)23/h2-8H,9-10H2,1H3,(H2,20,23).
What are the key properties of 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide?
2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-fluorophenyl)methoxy]-2-methyl-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 10020180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).