6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

C16H16ClN3O4 — CID 24761124

IUPAC6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3c1ccc([N+](=O)[O-])o1.Cl
InChIInChI=1S/C16H15N3O4.ClH/c1-22-9-2-3-12-11(8-9)10-6-7-17-16(15(10)18-12)13-4-5-14(23-13)19(20)21;/h2-5,8,16-18H,6-7H2,1H3;1H
InChIKeyFCZJCOKJUMNOES-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.33
Rot. Bonds3

About 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 24761124) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
PubChem CID24761124
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCOc1ccc2[nH]c3c(c2c1)CCNC3c1ccc([N+](=O)[O-])o1.Cl
InChIInChI=1S/C16H15N3O4.ClH/c1-22-9-2-3-12-11(8-9)10-6-7-17-16(15(10)18-12)13-4-5-14(23-13)19(20)21;/h2-5,8,16-18H,6-7H2,1H3;1H
InChIKeyFCZJCOKJUMNOES-UHFFFAOYSA-N
XLogP3.33
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (CID 24761124) is 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is COc1ccc2[nH]c3c(c2c1)CCNC3c1ccc([N+](=O)[O-])o1.Cl.
What is the InChIKey of 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is FCZJCOKJUMNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4.ClH/c1-22-9-2-3-12-11(8-9)10-6-7-17-16(15(10)18-12)13-4-5-14(23-13)19(20)21;/h2-5,8,16-18H,6-7H2,1H3;1H.
What are the key properties of 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 349.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(5-nitrofuran-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 24761124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).