6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C26H24N6O2 — CID 22609815

IUPAC6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCN(C)Cc1nc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)no1
InChIInChI=1S/C26H24N6O2/c1-32(2)15-24-30-25(31-34-24)19-8-13-23-22(14-19)26(28-17-27-23)29-20-9-11-21(12-10-20)33-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H,27,28,29)
InChIKeyQGOVBHYIEBVSTR-UHFFFAOYSA-N
MW452.52 g/mol
LogP5.06
Rot. Bonds8

About 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 22609815) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID22609815
Molecular FormulaC26H24N6O2
Molecular Weight452.52 g/mol
Exact Mass452.20
IUPAC Name6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESCN(C)Cc1nc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)no1
InChIInChI=1S/C26H24N6O2/c1-32(2)15-24-30-25(31-34-24)19-8-13-23-22(14-19)26(28-17-27-23)29-20-9-11-21(12-10-20)33-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H,27,28,29)
InChIKeyQGOVBHYIEBVSTR-UHFFFAOYSA-N
XLogP5.06
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 22609815) is 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is CN(C)Cc1nc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)no1.
What is the InChIKey of 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is QGOVBHYIEBVSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-32(2)15-24-30-25(31-34-24)19-8-13-23-22(14-19)26(28-17-27-23)29-20-9-11-21(12-10-20)33-16-18-6-4-3-5-7-18/h3-14,17H,15-16H2,1-2H3,(H,27,28,29).
What are the key properties of 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 452.52 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 22609815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).