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

C23H18N6O — CID 53012958

IUPAC2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCc1cccc(-c2nnc(-c3nc(NCc4cccnc4)c4ccccc4n3)o2)c1
InChIInChI=1S/C23H18N6O/c1-15-6-4-8-17(12-15)22-28-29-23(30-22)21-26-19-10-3-2-9-18(19)20(27-21)25-14-16-7-5-11-24-13-16/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyQTZCREDPGOXRNG-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.66
Rot. Bonds5

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

2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 53012958) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID53012958
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESCc1cccc(-c2nnc(-c3nc(NCc4cccnc4)c4ccccc4n3)o2)c1
InChIInChI=1S/C23H18N6O/c1-15-6-4-8-17(12-15)22-28-29-23(30-22)21-26-19-10-3-2-9-18(19)20(27-21)25-14-16-7-5-11-24-13-16/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyQTZCREDPGOXRNG-UHFFFAOYSA-N
XLogP4.66
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 53012958) is 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine is Cc1cccc(-c2nnc(-c3nc(NCc4cccnc4)c4ccccc4n3)o2)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is QTZCREDPGOXRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-15-6-4-8-17(12-15)22-28-29-23(30-22)21-26-19-10-3-2-9-18(19)20(27-21)25-14-16-7-5-11-24-13-16/h2-13H,14H2,1H3,(H,25,26,27).
What are the key properties of 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 394.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 53012958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).