[5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate

C18H21N3O3 — CID 70354712

IUPAC[5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate
SMILESCCOC(=O)Oc1ncc2[nH]c3cccc(CC(C)N)c3c2c1C
InChIInChI=1S/C18H21N3O3/c1-4-23-18(22)24-17-11(3)15-14(9-20-17)21-13-7-5-6-12(16(13)15)8-10(2)19/h5-7,9-10,21H,4,8,19H2,1-3H3
InChIKeyVYQHYVDSKFCZGP-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.45
Rot. Bonds4

About [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate

[5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate (PubChem CID 70354712) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate
PubChem CID70354712
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate
SMILESCCOC(=O)Oc1ncc2[nH]c3cccc(CC(C)N)c3c2c1C
InChIInChI=1S/C18H21N3O3/c1-4-23-18(22)24-17-11(3)15-14(9-20-17)21-13-7-5-6-12(16(13)15)8-10(2)19/h5-7,9-10,21H,4,8,19H2,1-3H3
InChIKeyVYQHYVDSKFCZGP-UHFFFAOYSA-N
XLogP3.45
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
The IUPAC name of [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate (CID 70354712) is [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate.
What is the SMILES notation for [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
The canonical SMILES for [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate is CCOC(=O)Oc1ncc2[nH]c3cccc(CC(C)N)c3c2c1C.
What is the InChIKey of [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
The InChIKey is VYQHYVDSKFCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-23-18(22)24-17-11(3)15-14(9-20-17)21-13-7-5-6-12(16(13)15)8-10(2)19/h5-7,9-10,21H,4,8,19H2,1-3H3.
What are the key properties of [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate?
[5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate has a molecular weight of 327.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminopropyl)-4-methyl-9H-pyrido[3,4-b]indol-3-yl] ethyl carbonate is sourced from PubChem (CID 70354712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).