2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole

C23H23NO3 — CID 166636131

IUPAC2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)cc1n2CC=CC1
InChIInChI=1S/C23H23NO3/c1-15(17-13-21(25-2)23(27-4)22(14-17)26-3)16-8-9-20-18(11-16)12-19-7-5-6-10-24(19)20/h5-6,8-9,11-14H,1,7,10H2,2-4H3
InChIKeyAMJITJHUGSWFDB-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.84
Rot. Bonds5

About 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole

2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole (PubChem CID 166636131) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole.

Molecular Properties

Compound Name2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole
PubChem CID166636131
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)cc1n2CC=CC1
InChIInChI=1S/C23H23NO3/c1-15(17-13-21(25-2)23(27-4)22(14-17)26-3)16-8-9-20-18(11-16)12-19-7-5-6-10-24(19)20/h5-6,8-9,11-14H,1,7,10H2,2-4H3
InChIKeyAMJITJHUGSWFDB-UHFFFAOYSA-N
XLogP4.84
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
The IUPAC name of 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole (CID 166636131) is 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole.
What is the SMILES notation for 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
The canonical SMILES for 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)cc1n2CC=CC1.
What is the InChIKey of 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
The InChIKey is AMJITJHUGSWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15(17-13-21(25-2)23(27-4)22(14-17)26-3)16-8-9-20-18(11-16)12-19-7-5-6-10-24(19)20/h5-6,8-9,11-14H,1,7,10H2,2-4H3.
What are the key properties of 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole?
2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole has a molecular weight of 361.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4,5-trimethoxyphenyl)ethenyl]-6,9-dihydropyrido[1,2-a]indole is sourced from PubChem (CID 166636131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).