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

C23H16FN5O — CID 53030165

IUPACN-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(Nc4ccc(F)cc4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C23H16FN5O/c1-14-6-8-15(9-7-14)22-28-29-23(30-22)21-26-19-5-3-2-4-18(19)20(27-21)25-17-12-10-16(24)11-13-17/h2-13H,1H3,(H,25,26,27)
InChIKeyZRDAPGHNUKUPNQ-UHFFFAOYSA-N
MW397.41 g/mol
LogP5.54
Rot. Bonds4

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

N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53030165) has the molecular formula C23H16FN5O and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID53030165
Molecular FormulaC23H16FN5O
Molecular Weight397.41 g/mol
Exact Mass397.13
IUPAC NameN-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(Nc4ccc(F)cc4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C23H16FN5O/c1-14-6-8-15(9-7-14)22-28-29-23(30-22)21-26-19-5-3-2-4-18(19)20(27-21)25-17-12-10-16(24)11-13-17/h2-13H,1H3,(H,25,26,27)
InChIKeyZRDAPGHNUKUPNQ-UHFFFAOYSA-N
XLogP5.54
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53030165) is N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is Cc1ccc(-c2nnc(-c3nc(Nc4ccc(F)cc4)c4ccccc4n3)o2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is ZRDAPGHNUKUPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O/c1-14-6-8-15(9-7-14)22-28-29-23(30-22)21-26-19-5-3-2-4-18(19)20(27-21)25-17-12-10-16(24)11-13-17/h2-13H,1H3,(H,25,26,27).
What are the key properties of N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 397.41 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53030165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).