3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide

C21H17FN4O3 — CID 164572545

IUPAC3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide
SMILESCNC(=O)c1cc(F)cc(Cn2cnc3cc(-c4conc4C)ccc3c2=O)c1
InChIInChI=1S/C21H17FN4O3/c1-12-18(10-29-25-12)14-3-4-17-19(8-14)24-11-26(21(17)28)9-13-5-15(20(27)23-2)7-16(22)6-13/h3-8,10-11H,9H2,1-2H3,(H,23,27)
InChIKeyGNNQXZIZQOJHSC-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.91
Rot. Bonds4

About 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide

3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide (PubChem CID 164572545) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide
PubChem CID164572545
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide
SMILESCNC(=O)c1cc(F)cc(Cn2cnc3cc(-c4conc4C)ccc3c2=O)c1
InChIInChI=1S/C21H17FN4O3/c1-12-18(10-29-25-12)14-3-4-17-19(8-14)24-11-26(21(17)28)9-13-5-15(20(27)23-2)7-16(22)6-13/h3-8,10-11H,9H2,1-2H3,(H,23,27)
InChIKeyGNNQXZIZQOJHSC-UHFFFAOYSA-N
XLogP2.91
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide (CID 164572545) is 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide is CNC(=O)c1cc(F)cc(Cn2cnc3cc(-c4conc4C)ccc3c2=O)c1.
What is the InChIKey of 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide?
The InChIKey is GNNQXZIZQOJHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-12-18(10-29-25-12)14-3-4-17-19(8-14)24-11-26(21(17)28)9-13-5-15(20(27)23-2)7-16(22)6-13/h3-8,10-11H,9H2,1-2H3,(H,23,27).
What are the key properties of 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide?
3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide has a molecular weight of 392.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-5-[[7-(3-methyl-1,2-oxazol-4-yl)-4-oxoquinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 164572545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).