2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole

C25H13N3O2S — CID 174611857

IUPAC2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole
SMILESc1ccc2nc3sc(-c4cccc5oc(-c6nc7ccccc7o6)nc45)cc3cc2c1
InChIInChI=1S/C25H13N3O2S/c1-2-8-17-14(6-1)12-15-13-21(31-25(15)27-17)16-7-5-11-20-22(16)28-24(30-20)23-26-18-9-3-4-10-19(18)29-23/h1-13H
InChIKeyNENUXIIHYVAFLG-UHFFFAOYSA-N
MW419.47 g/mol
LogP7.07
Rot. Bonds2

About 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole

2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole (PubChem CID 174611857) has the molecular formula C25H13N3O2S and a molecular weight of 419.47 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole
PubChem CID174611857
Molecular FormulaC25H13N3O2S
Molecular Weight419.47 g/mol
Exact Mass419.07
IUPAC Name2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole
SMILESc1ccc2nc3sc(-c4cccc5oc(-c6nc7ccccc7o6)nc45)cc3cc2c1
InChIInChI=1S/C25H13N3O2S/c1-2-8-17-14(6-1)12-15-13-21(31-25(15)27-17)16-7-5-11-20-22(16)28-24(30-20)23-26-18-9-3-4-10-19(18)29-23/h1-13H
InChIKeyNENUXIIHYVAFLG-UHFFFAOYSA-N
XLogP7.07
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.47
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-quinolin-3-ylthiophen-2-yl)-1,3-benzoxazole
CID 122220784
2-[2-[4-(2-hydroxyphenyl)-1,3-benzoxazol-2-yl]-1,3-benzoxazol-4-yl]phenol
CID 135975699
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-anthracen-9-yl-1,3-benzoxazole
CID 59439667
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole;2-[5-(1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
CID 165081330
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole (CID 174611857) is 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole is c1ccc2nc3sc(-c4cccc5oc(-c6nc7ccccc7o6)nc45)cc3cc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole?
The InChIKey is NENUXIIHYVAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13N3O2S/c1-2-8-17-14(6-1)12-15-13-21(31-25(15)27-17)16-7-5-11-20-22(16)28-24(30-20)23-26-18-9-3-4-10-19(18)29-23/h1-13H.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole?
2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole has a molecular weight of 419.47 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-4-thieno[2,3-b]quinolin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 174611857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).