8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

C23H20N2O — CID 166628425

IUPAC8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESC=C(c1ccc2c(c1)cc1n2CCOC1)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H20N2O/c1-15-11-21(20-5-3-4-6-22(20)24-15)16(2)17-7-8-23-18(12-17)13-19-14-26-10-9-25(19)23/h3-8,11-13H,2,9-10,14H2,1H3
InChIKeyNFIGLIHHZBONJI-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.09
Rot. Bonds2

About 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 166628425) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID166628425
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESC=C(c1ccc2c(c1)cc1n2CCOC1)c1cc(C)nc2ccccc12
InChIInChI=1S/C23H20N2O/c1-15-11-21(20-5-3-4-6-22(20)24-15)16(2)17-7-8-23-18(12-17)13-19-14-26-10-9-25(19)23/h3-8,11-13H,2,9-10,14H2,1H3
InChIKeyNFIGLIHHZBONJI-UHFFFAOYSA-N
XLogP5.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole 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 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 166628425) is 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is C=C(c1ccc2c(c1)cc1n2CCOC1)c1cc(C)nc2ccccc12.
What is the InChIKey of 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is NFIGLIHHZBONJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-15-11-21(20-5-3-4-6-22(20)24-15)16(2)17-7-8-23-18(12-17)13-19-14-26-10-9-25(19)23/h3-8,11-13H,2,9-10,14H2,1H3.
What are the key properties of 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 340.43 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 166628425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).