N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

C21H23N3O3 — CID 58512299

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCOC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1
InChIInChI=1S/C21H23N3O3/c1-24-17-6-4-14(25-2)12-16(17)15-5-8-20(23-21(15)24)22-13-3-7-18-19(11-13)27-10-9-26-18/h3,5,7-8,11,14H,4,6,9-10,12H2,1-2H3,(H,22,23)
InChIKeyHCBIXBASJCATHY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.59
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (PubChem CID 58512299) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
PubChem CID58512299
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCOC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1
InChIInChI=1S/C21H23N3O3/c1-24-17-6-4-14(25-2)12-16(17)15-5-8-20(23-21(15)24)22-13-3-7-18-19(11-13)27-10-9-26-18/h3,5,7-8,11,14H,4,6,9-10,12H2,1-2H3,(H,22,23)
InChIKeyHCBIXBASJCATHY-UHFFFAOYSA-N
XLogP3.59
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (CID 58512299) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is COC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The InChIKey is HCBIXBASJCATHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24-17-6-4-14(25-2)12-16(17)15-5-8-20(23-21(15)24)22-13-3-7-18-19(11-13)27-10-9-26-18/h3,5,7-8,11,14H,4,6,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine has a molecular weight of 365.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 58512299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).