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

C24H19N5O2 — CID 53012925

IUPACN-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOc1ccc(-c2nnc(-c3nc(NCc4ccccc4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C24H19N5O2/c1-30-18-13-11-17(12-14-18)23-28-29-24(31-23)22-26-20-10-6-5-9-19(20)21(27-22)25-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26,27)
InChIKeyDYGQQEAELKVUKW-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.97
Rot. Bonds6

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

N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (PubChem CID 53012925) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
PubChem CID53012925
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
SMILESCOc1ccc(-c2nnc(-c3nc(NCc4ccccc4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C24H19N5O2/c1-30-18-13-11-17(12-14-18)23-28-29-24(31-23)22-26-20-10-6-5-9-19(20)21(27-22)25-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26,27)
InChIKeyDYGQQEAELKVUKW-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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Related Compounds

N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(4-ethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012984
N-[(2,4-dimethoxyphenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354956
N-[(4-methoxyphenyl)methyl]-2-(2H-tetrazol-5-yl)quinazolin-4-amine
CID 68518029
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 53012207
N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53030111
2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)quinazolin-4-amine
CID 53012958
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The IUPAC name of N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine (CID 53012925) is N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The canonical SMILES for N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is COc1ccc(-c2nnc(-c3nc(NCc4ccccc4)c4ccccc4n3)o2)cc1.
What is the InChIKey of N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
The InChIKey is DYGQQEAELKVUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-30-18-13-11-17(12-14-18)23-28-29-24(31-23)22-26-20-10-6-5-9-19(20)21(27-22)25-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,25,26,27).
What are the key properties of N-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine?
N-benzyl-2-[5-(4-methoxyphenyl)-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-benzyl-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine is sourced from PubChem (CID 53012925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).