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

C23H17N5O2 — CID 53030111

IUPACN-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)c1
InChIInChI=1S/C23H17N5O2/c1-29-17-11-7-10-16(14-17)24-20-18-12-5-6-13-19(18)25-21(26-20)23-28-27-22(30-23)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25,26)
InChIKeyGRRIIBOPPIANSQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.10
Rot. Bonds5

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

N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (PubChem CID 53030111) has the molecular formula C23H17N5O2 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
PubChem CID53030111
Molecular FormulaC23H17N5O2
Molecular Weight395.42 g/mol
Exact Mass395.14
IUPAC NameN-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESCOc1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)c1
InChIInChI=1S/C23H17N5O2/c1-29-17-11-7-10-16(14-17)24-20-18-12-5-6-13-19(18)25-21(26-20)23-28-27-22(30-23)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25,26)
InChIKeyGRRIIBOPPIANSQ-UHFFFAOYSA-N
XLogP5.10
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53012931
4-N-(furan-2-ylmethyl)-2-N-(3-methoxyphenyl)quinazoline-2,4-diamine
CID 39861393
N-cyclohexyl-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354948
N-[(2-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008667
2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(3-methylphenyl)methyl]quinazolin-4-amine
CID 53012983
2-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-YL]-N-[(furan-2-YL)methyl]quinazolin-4-amine
CID 53090513
N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 135134754
N-[2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 135134604
N-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 22579318
N-(2,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 22579319
N-[(4-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008665
N-[(3-fluorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008669

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (CID 53030111) is N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is COc1cccc(Nc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The InChIKey is GRRIIBOPPIANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2/c1-29-17-11-7-10-16(14-17)24-20-18-12-5-6-13-19(18)25-21(26-20)23-28-27-22(30-23)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25,26).
What are the key properties of N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine has a molecular weight of 395.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 53030111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).