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

C24H19N5O2 — CID 53012931

IUPACN-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)cc1
InChIInChI=1S/C24H19N5O2/c1-30-18-13-11-16(12-14-18)15-25-21-19-9-5-6-10-20(19)26-22(27-21)24-29-28-23(31-24)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26,27)
InChIKeyNMICHFXRVRATJM-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.97
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (PubChem CID 53012931) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
PubChem CID53012931
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)cc1
InChIInChI=1S/C24H19N5O2/c1-30-18-13-11-16(12-14-18)15-25-21-19-9-5-6-10-20(19)26-22(27-21)24-29-28-23(31-24)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26,27)
InChIKeyNMICHFXRVRATJM-UHFFFAOYSA-N
XLogP4.97
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (CID 53012931) is N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is COc1ccc(CNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The InChIKey is NMICHFXRVRATJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-30-18-13-11-16(12-14-18)15-25-21-19-9-5-6-10-20(19)26-22(27-21)24-29-28-23(31-24)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine has a molecular weight of 409.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 53012931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).