3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine

C21H14N4O — CID 67389274

IUPAC3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine
SMILESNc1ncc(-c2cccc3cccnc23)cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H14N4O/c22-20-16(21-25-17-8-1-2-9-18(17)26-21)11-14(12-24-20)15-7-3-5-13-6-4-10-23-19(13)15/h1-12H,(H2,22,24)
InChIKeyRPCTURRDDSUVBO-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.69
Rot. Bonds2

About 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine

3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine (PubChem CID 67389274) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine
PubChem CID67389274
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine
SMILESNc1ncc(-c2cccc3cccnc23)cc1-c1nc2ccccc2o1
InChIInChI=1S/C21H14N4O/c22-20-16(21-25-17-8-1-2-9-18(17)26-21)11-14(12-24-20)15-7-3-5-13-6-4-10-23-19(13)15/h1-12H,(H2,22,24)
InChIKeyRPCTURRDDSUVBO-UHFFFAOYSA-N
XLogP4.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine 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

3-(1,3-benzoxazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 67388241
3-(1,3-benzoxazol-2-yl)-5-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]pyridin-2-amine
CID 67388137
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 67388374
2-(4-methylquinolin-8-yl)-1,3-benzoxazole
CID 12597845
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 67388113
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide
CID 174629042
2-[3-(1,10-phenanthrolin-3-yl)-5-(4-phenylisoquinolin-1-yl)phenyl]-1,3-benzoxazole
CID 171459984
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
3-(1,3-benzoxazol-2-yl)-5-[1-(1-methyl-1-oxidopiperidin-1-ium-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 86630146
3-(1,3-benzoxazol-2-yl)-5-[1-(4-iminobutan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 174641874
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
3-(1,3-benzoxazol-2-yl)-5-[3-(methoxymethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 42599605

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine (CID 67389274) is 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine is Nc1ncc(-c2cccc3cccnc23)cc1-c1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine?
The InChIKey is RPCTURRDDSUVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c22-20-16(21-25-17-8-1-2-9-18(17)26-21)11-14(12-24-20)15-7-3-5-13-6-4-10-23-19(13)15/h1-12H,(H2,22,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine?
3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine has a molecular weight of 338.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-quinolin-8-ylpyridin-2-amine is sourced from PubChem (CID 67389274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).