2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole

C24H20N2 — CID 166632715

IUPAC2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole
SMILESC=C(c1ccc2c(c1)cc1n2CC=CC1)c1cc(C)nc2ccccc12
InChIInChI=1S/C24H20N2/c1-16-13-22(21-8-3-4-9-23(21)25-16)17(2)18-10-11-24-19(14-18)15-20-7-5-6-12-26(20)24/h3-6,8-11,13-15H,2,7,12H2,1H3
InChIKeyRDKZADKCFLXGPH-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.67
Rot. Bonds2

About 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole

2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole (PubChem CID 166632715) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole.

Molecular Properties

Compound Name2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole
PubChem CID166632715
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole
SMILESC=C(c1ccc2c(c1)cc1n2CC=CC1)c1cc(C)nc2ccccc12
InChIInChI=1S/C24H20N2/c1-16-13-22(21-8-3-4-9-23(21)25-16)17(2)18-10-11-24-19(14-18)15-20-7-5-6-12-26(20)24/h3-6,8-11,13-15H,2,7,12H2,1H3
InChIKeyRDKZADKCFLXGPH-UHFFFAOYSA-N
XLogP5.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
The IUPAC name of 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole (CID 166632715) is 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole.
What is the SMILES notation for 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
The canonical SMILES for 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole is C=C(c1ccc2c(c1)cc1n2CC=CC1)c1cc(C)nc2ccccc12.
What is the InChIKey of 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
The InChIKey is RDKZADKCFLXGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-16-13-22(21-8-3-4-9-23(21)25-16)17(2)18-10-11-24-19(14-18)15-20-7-5-6-12-26(20)24/h3-6,8-11,13-15H,2,7,12H2,1H3.
What are the key properties of 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole has a molecular weight of 336.44 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylquinolin-4-yl)ethenyl]-6,9-dihydropyrido[1,2-a]indole is sourced from PubChem (CID 166632715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).