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

C20H19N5O2S — CID 40766758

IUPACN-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
SMILESCCNc1nc(SCc2nc(-c3ccc(OC)cc3)no2)nc2ccccc12
InChIInChI=1S/C20H19N5O2S/c1-3-21-19-15-6-4-5-7-16(15)22-20(24-19)28-12-17-23-18(25-27-17)13-8-10-14(26-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,22,24)
InChIKeyGZPOMRXZJIJEDQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.41
Rot. Bonds7

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

N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine (PubChem CID 40766758) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
PubChem CID40766758
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
SMILESCCNc1nc(SCc2nc(-c3ccc(OC)cc3)no2)nc2ccccc12
InChIInChI=1S/C20H19N5O2S/c1-3-21-19-15-6-4-5-7-16(15)22-20(24-19)28-12-17-23-18(25-27-17)13-8-10-14(26-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,22,24)
InChIKeyGZPOMRXZJIJEDQ-UHFFFAOYSA-N
XLogP4.41
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine
CID 18269220
N-cyclopropyl-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
CID 18285895
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18192132
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-methylquinazolin-4-amine
CID 174233588
3-benzyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 91811188
3-(4-methoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 37283773
2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 4548366
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
3-(4-methoxyphenyl)-5-[(1-phenylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 33232773
N-[(3,5-dimethoxyphenyl)methyl]-2-ethylsulfanylquinazolin-4-amine
CID 11653306
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine
CID 64981044
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
The IUPAC name of N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine (CID 40766758) is N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
The canonical SMILES for N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine is CCNc1nc(SCc2nc(-c3ccc(OC)cc3)no2)nc2ccccc12.
What is the InChIKey of N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
The InChIKey is GZPOMRXZJIJEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-3-21-19-15-6-4-5-7-16(15)22-20(24-19)28-12-17-23-18(25-27-17)13-8-10-14(26-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,21,22,24).
What are the key properties of N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine?
N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine is sourced from PubChem (CID 40766758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).