N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

C20H20N6O — CID 133295619

IUPACN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(C)c1noc(CCNc2nc(-c3cccnc3)nc3ccccc23)n1
InChIInChI=1S/C20H20N6O/c1-13(2)18-24-17(27-26-18)9-11-22-20-15-7-3-4-8-16(15)23-19(25-20)14-6-5-10-21-12-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23,25)
InChIKeyGGOCKGLVAWOGPQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 133295619) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID133295619
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(C)c1noc(CCNc2nc(-c3cccnc3)nc3ccccc23)n1
InChIInChI=1S/C20H20N6O/c1-13(2)18-24-17(27-26-18)9-11-22-20-15-7-3-4-8-16(15)23-19(25-20)14-6-5-10-21-12-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23,25)
InChIKeyGGOCKGLVAWOGPQ-UHFFFAOYSA-N
XLogP3.85
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 133293050

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 133295619) is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is CC(C)c1noc(CCNc2nc(-c3cccnc3)nc3ccccc23)n1.
What is the InChIKey of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is GGOCKGLVAWOGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13(2)18-24-17(27-26-18)9-11-22-20-15-7-3-4-8-16(15)23-19(25-20)14-6-5-10-21-12-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,22,23,25).
What are the key properties of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 133295619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).