5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C23H21N3O — CID 56740597

IUPAC5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(CN2CCc3onc(-c4ccccc4)c3C2)c2cccnc12
InChIInChI=1S/C23H21N3O/c1-16-9-10-18(19-8-5-12-24-22(16)19)14-26-13-11-21-20(15-26)23(25-27-21)17-6-3-2-4-7-17/h2-10,12H,11,13-15H2,1H3
InChIKeyRKWCJLVONBRASY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.76
Rot. Bonds3

About 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56740597) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56740597
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1ccc(CN2CCc3onc(-c4ccccc4)c3C2)c2cccnc12
InChIInChI=1S/C23H21N3O/c1-16-9-10-18(19-8-5-12-24-22(16)19)14-26-13-11-21-20(15-26)23(25-27-21)17-6-3-2-4-7-17/h2-10,12H,11,13-15H2,1H3
InChIKeyRKWCJLVONBRASY-UHFFFAOYSA-N
XLogP4.76
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56740597) is 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is Cc1ccc(CN2CCc3onc(-c4ccccc4)c3C2)c2cccnc12.
What is the InChIKey of 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is RKWCJLVONBRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-9-10-18(19-8-5-12-24-22(16)19)14-26-13-11-21-20(15-26)23(25-27-21)17-6-3-2-4-7-17/h2-10,12H,11,13-15H2,1H3.
What are the key properties of 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 355.44 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methylquinolin-5-yl)methyl]-3-phenyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56740597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).