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

C24H18FN5O — CID 53013015

IUPACN-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(NCc4cccc(F)c4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C24H18FN5O/c1-15-9-11-17(12-10-15)23-29-30-24(31-23)22-27-20-8-3-2-7-19(20)21(28-22)26-14-16-5-4-6-18(25)13-16/h2-13H,14H2,1H3,(H,26,27,28)
InChIKeySQNKSPJREQUMRH-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.41
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53013015) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID53013015
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCc1ccc(-c2nnc(-c3nc(NCc4cccc(F)c4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C24H18FN5O/c1-15-9-11-17(12-10-15)23-29-30-24(31-23)22-27-20-8-3-2-7-19(20)21(28-22)26-14-16-5-4-6-18(25)13-16/h2-13H,14H2,1H3,(H,26,27,28)
InChIKeySQNKSPJREQUMRH-UHFFFAOYSA-N
XLogP5.41
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53013015) is N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is Cc1ccc(-c2nnc(-c3nc(NCc4cccc(F)c4)c4ccccc4n3)o2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is SQNKSPJREQUMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c1-15-9-11-17(12-10-15)23-29-30-24(31-23)22-27-20-8-3-2-7-19(20)21(28-22)26-14-16-5-4-6-18(25)13-16/h2-13H,14H2,1H3,(H,26,27,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine has a molecular weight of 411.44 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53013015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).