2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

C19H25N3O3 — CID 934909

IUPAC2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)CN(C)CC1OCCO1)CC3
InChIInChI=1S/C19H25N3O3/c1-13-3-4-16-14(9-13)15-10-22(6-5-17(15)20-16)18(23)11-21(2)12-19-24-7-8-25-19/h3-4,9,19-20H,5-8,10-12H2,1-2H3
InChIKeyYLXLQGSKJOMMDL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.67
Rot. Bonds4

About 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone (PubChem CID 934909) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
PubChem CID934909
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)CN(C)CC1OCCO1)CC3
InChIInChI=1S/C19H25N3O3/c1-13-3-4-16-14(9-13)15-10-22(6-5-17(15)20-16)18(23)11-21(2)12-19-24-7-8-25-19/h3-4,9,19-20H,5-8,10-12H2,1-2H3
InChIKeyYLXLQGSKJOMMDL-UHFFFAOYSA-N
XLogP1.67
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The IUPAC name of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone (CID 934909) is 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The canonical SMILES for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone is Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN(C)CC1OCCO1)CC3.
What is the InChIKey of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
The InChIKey is YLXLQGSKJOMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-3-4-16-14(9-13)15-10-22(6-5-17(15)20-16)18(23)11-21(2)12-19-24-7-8-25-19/h3-4,9,19-20H,5-8,10-12H2,1-2H3.
What are the key properties of 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone?
2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 934909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).