N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

C24H18FN5O3 — CID 22579319

IUPACN-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C24H18FN5O3/c1-31-16-11-12-19(20(13-16)32-2)27-21-17-5-3-4-6-18(17)26-22(28-21)24-30-29-23(33-24)14-7-9-15(25)10-8-14/h3-13H,1-2H3,(H,26,27,28)
InChIKeySOXZURCDDCDXKA-UHFFFAOYSA-N
MW443.44 g/mol
LogP5.25
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine

N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 22579319) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID22579319
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C24H18FN5O3/c1-31-16-11-12-19(20(13-16)32-2)27-21-17-5-3-4-6-18(17)26-22(28-21)24-30-29-23(33-24)14-7-9-15(25)10-8-14/h3-13H,1-2H3,(H,26,27,28)
InChIKeySOXZURCDDCDXKA-UHFFFAOYSA-N
XLogP5.25
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 22579319) is N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is COc1ccc(Nc2nc(-c3nnc(-c4ccc(F)cc4)o3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is SOXZURCDDCDXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-31-16-11-12-19(20(13-16)32-2)27-21-17-5-3-4-6-18(17)26-22(28-21)24-30-29-23(33-24)14-7-9-15(25)10-8-14/h3-13H,1-2H3,(H,26,27,28).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 443.44 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 22579319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).