3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole

C30H15N11OS2 — CID 141069864

IUPAC3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole
SMILESc1cnc2ccc(-c3c(-c4nccs4)cc4nc(-c5ncc6[nH]cnc6n5)nc(-c5ccsn5)c4c3-c3ccon3)nc2c1
InChIInChI=1S/C30H15N11OS2/c1-2-17-16(31-7-1)3-4-18(36-17)23-15(30-32-8-11-43-30)12-21-25(24(23)19-5-9-42-40-19)26(20-6-10-44-41-20)38-29(37-21)28-33-13-22-27(39-28)35-14-34-22/h1-14H,(H,33,34,35,39)
InChIKeyDKZXJYBEMDGLDC-UHFFFAOYSA-N
MW609.66 g/mol
LogP6.48
Rot. Bonds5

About 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole

3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole (PubChem CID 141069864) has the molecular formula C30H15N11OS2 and a molecular weight of 609.66 g/mol. Its IUPAC name is 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole
PubChem CID141069864
Molecular FormulaC30H15N11OS2
Molecular Weight609.66 g/mol
Exact Mass609.09
IUPAC Name3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole
SMILESc1cnc2ccc(-c3c(-c4nccs4)cc4nc(-c5ncc6[nH]cnc6n5)nc(-c5ccsn5)c4c3-c3ccon3)nc2c1
InChIInChI=1S/C30H15N11OS2/c1-2-17-16(31-7-1)3-4-18(36-17)23-15(30-32-8-11-43-30)12-21-25(24(23)19-5-9-42-40-19)26(20-6-10-44-41-20)38-29(37-21)28-33-13-22-27(39-28)35-14-34-22/h1-14H,(H,33,34,35,39)
InChIKeyDKZXJYBEMDGLDC-UHFFFAOYSA-N
XLogP6.48
TPSA157.83 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500609.66
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole with MolForge

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Related Compounds

7-(1H-benzimidazol-2-yl)-6-(1H-benzotriazol-4-yl)-2-isoquinolin-1-yl-4-(7H-purin-2-yl)-3-quinolin-2-yl-1,5-naphthyridine
CID 141329829
2-(furan-2-yl)-7H-purine
CID 69436374
6-isoquinolin-1-yl-2-(1,5-naphthyridin-2-yl)-3-phthalazin-1-yl-8-(7H-purin-2-yl)-5-quinolin-2-yl-7-(4H-quinolizin-1-yl)quinoxaline
CID 141049051
2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline
CID 141107881
2-[4-(3H-benzimidazol-5-yl)phenyl]-7H-purine
CID 89475023
3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole
CID 141175822
2-[7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-4-isoquinolin-1-yl-8-(7H-purin-2-yl)-4-pyridin-2-yl-1-quinolin-2-yl-3H-phthalazin-5-yl]-1,3-benzothiazole
CID 141196526
7H-purine;thieno[2,3-b]pyridine
CID 144552506
1H-imidazo[4,5-b]pyridine;quinoxaline
CID 175558542
2-(furan-2-yl)pyrido[3,2-d]pyrimidine
CID 101478815
2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 140981688
2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
CID 69018382

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole?
The IUPAC name of 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole (CID 141069864) is 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole?
The canonical SMILES for 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole is c1cnc2ccc(-c3c(-c4nccs4)cc4nc(-c5ncc6[nH]cnc6n5)nc(-c5ccsn5)c4c3-c3ccon3)nc2c1.
What is the InChIKey of 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole?
The InChIKey is DKZXJYBEMDGLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H15N11OS2/c1-2-17-16(31-7-1)3-4-18(36-17)23-15(30-32-8-11-43-30)12-21-25(24(23)19-5-9-42-40-19)26(20-6-10-44-41-20)38-29(37-21)28-33-13-22-27(39-28)35-14-34-22/h1-14H,(H,33,34,35,39).
What are the key properties of 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole?
3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole has a molecular weight of 609.66 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole is sourced from PubChem (CID 141069864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).