2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide

C20H18FN5O2 — CID 52905748

IUPAC2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1
InChIInChI=1S/C20H18FN5O2/c1-12(2)13-3-6-15(7-4-13)23-18(27)10-26-20(28)25-11-22-17-8-5-14(21)9-16(17)19(25)24-26/h3-9,11-12H,10H2,1-2H3,(H,23,27)
InChIKeyBTHSLUNAVMSQJZ-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.95
Rot. Bonds4

About 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 52905748) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID52905748
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1
InChIInChI=1S/C20H18FN5O2/c1-12(2)13-3-6-15(7-4-13)23-18(27)10-26-20(28)25-11-22-17-8-5-14(21)9-16(17)19(25)24-26/h3-9,11-12H,10H2,1-2H3,(H,23,27)
InChIKeyBTHSLUNAVMSQJZ-UHFFFAOYSA-N
XLogP2.95
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 52905748) is 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2nc3c4cc(F)ccc4ncn3c2=O)cc1.
What is the InChIKey of 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is BTHSLUNAVMSQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-12(2)13-3-6-15(7-4-13)23-18(27)10-26-20(28)25-11-22-17-8-5-14(21)9-16(17)19(25)24-26/h3-9,11-12H,10H2,1-2H3,(H,23,27).
What are the key properties of 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 379.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 52905748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).