N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine

C22H24N2O3 — CID 166626579

IUPACN-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine
SMILESCOc1cc(N(C)c2ccc3c(c2)cc2n3CC=CC2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O3/c1-23(18-13-20(25-2)22(27-4)21(14-18)26-3)16-8-9-19-15(11-16)12-17-7-5-6-10-24(17)19/h5-6,8-9,11-14H,7,10H2,1-4H3
InChIKeyAUINOKKMKPIIJQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.55
Rot. Bonds5

About N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine

N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine (PubChem CID 166626579) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine
PubChem CID166626579
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine
SMILESCOc1cc(N(C)c2ccc3c(c2)cc2n3CC=CC2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O3/c1-23(18-13-20(25-2)22(27-4)21(14-18)26-3)16-8-9-19-15(11-16)12-17-7-5-6-10-24(17)19/h5-6,8-9,11-14H,7,10H2,1-4H3
InChIKeyAUINOKKMKPIIJQ-UHFFFAOYSA-N
XLogP4.55
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine?
The IUPAC name of N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine (CID 166626579) is N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine.
What is the SMILES notation for N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine?
The canonical SMILES for N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine is COc1cc(N(C)c2ccc3c(c2)cc2n3CC=CC2)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine?
The InChIKey is AUINOKKMKPIIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-23(18-13-20(25-2)22(27-4)21(14-18)26-3)16-8-9-19-15(11-16)12-17-7-5-6-10-24(17)19/h5-6,8-9,11-14H,7,10H2,1-4H3.
What are the key properties of N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine?
N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine has a molecular weight of 364.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,4,5-trimethoxyphenyl)-6,9-dihydropyrido[1,2-a]indol-2-amine is sourced from PubChem (CID 166626579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).