6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine

C23H23FN6O2 — CID 155728257

IUPAC6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine
SMILESCc1noc(C(C)Nc2nc(N3CCOCC3)nc3ccc(-c4ccc(F)cc4)cc23)n1
InChIInChI=1S/C23H23FN6O2/c1-14(22-26-15(2)29-32-22)25-21-19-13-17(16-3-6-18(24)7-4-16)5-8-20(19)27-23(28-21)30-9-11-31-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,27,28)
InChIKeyDOPNNYDJALCIEW-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.14
Rot. Bonds5

About 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine

6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine (PubChem CID 155728257) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine
PubChem CID155728257
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine
SMILESCc1noc(C(C)Nc2nc(N3CCOCC3)nc3ccc(-c4ccc(F)cc4)cc23)n1
InChIInChI=1S/C23H23FN6O2/c1-14(22-26-15(2)29-32-22)25-21-19-13-17(16-3-6-18(24)7-4-16)5-8-20(19)27-23(28-21)30-9-11-31-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,27,28)
InChIKeyDOPNNYDJALCIEW-UHFFFAOYSA-N
XLogP4.14
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine (CID 155728257) is 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine is Cc1noc(C(C)Nc2nc(N3CCOCC3)nc3ccc(-c4ccc(F)cc4)cc23)n1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine?
The InChIKey is DOPNNYDJALCIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-14(22-26-15(2)29-32-22)25-21-19-13-17(16-3-6-18(24)7-4-16)5-8-20(19)27-23(28-21)30-9-11-31-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,27,28).
What are the key properties of 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine?
6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine has a molecular weight of 434.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 155728257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).