N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

C22H20FN5O2 — CID 20880841

IUPACN-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
SMILESO=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC1CC1
InChIInChI=1S/C22H20FN5O2/c23-15-7-5-14(6-8-15)13-27-21(30)17-3-1-2-4-18(17)28-19(25-26-22(27)28)11-12-20(29)24-16-9-10-16/h1-8,16H,9-13H2,(H,24,29)
InChIKeyGIZAYTXZKBICSJ-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.44
Rot. Bonds6

About N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide

N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide (PubChem CID 20880841) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
PubChem CID20880841
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
SMILESO=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC1CC1
InChIInChI=1S/C22H20FN5O2/c23-15-7-5-14(6-8-15)13-27-21(30)17-3-1-2-4-18(17)28-19(25-26-22(27)28)11-12-20(29)24-16-9-10-16/h1-8,16H,9-13H2,(H,24,29)
InChIKeyGIZAYTXZKBICSJ-UHFFFAOYSA-N
XLogP2.44
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide (CID 20880841) is N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide is O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
The InChIKey is GIZAYTXZKBICSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c23-15-7-5-14(6-8-15)13-27-21(30)17-3-1-2-4-18(17)28-19(25-26-22(27)28)11-12-20(29)24-16-9-10-16/h1-8,16H,9-13H2,(H,24,29).
What are the key properties of N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide?
N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide has a molecular weight of 405.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide is sourced from PubChem (CID 20880841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).