2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide

C24H17N3O2 — CID 166443302

IUPAC2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide
SMILESCc1cccc(-c2nc3ccccc3o2)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C24H17N3O2/c1-15-7-4-10-17(24-27-18-11-2-3-13-20(18)29-24)21(15)23(28)26-19-12-5-8-16-9-6-14-25-22(16)19/h2-14H,1H3,(H,26,28)
InChIKeyPGOQOEREZGSJSP-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.60
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide

2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide (PubChem CID 166443302) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide
PubChem CID166443302
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide
SMILESCc1cccc(-c2nc3ccccc3o2)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C24H17N3O2/c1-15-7-4-10-17(24-27-18-11-2-3-13-20(18)29-24)21(15)23(28)26-19-12-5-8-16-9-6-14-25-22(16)19/h2-14H,1H3,(H,26,28)
InChIKeyPGOQOEREZGSJSP-UHFFFAOYSA-N
XLogP5.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide 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

(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662589
1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline
CID 272358
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 699259
2-(1-Isoquinolyl)-4,5-diphenyl-oxazole
CID 230513
2-(2-Methylquinolin-4-yl)-1,3-benzoxazole
CID 660271
2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-1H-indole-2-carboxamide
CID 44251315
2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662587
(2S)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662588
(2S)-2-(1-naphthylamino)-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662776

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide (CID 166443302) is 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide is Cc1cccc(-c2nc3ccccc3o2)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide?
The InChIKey is PGOQOEREZGSJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c1-15-7-4-10-17(24-27-18-11-2-3-13-20(18)29-24)21(15)23(28)26-19-12-5-8-16-9-6-14-25-22(16)19/h2-14H,1H3,(H,26,28).
What are the key properties of 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide?
2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide has a molecular weight of 379.42 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-6-methyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 166443302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).