1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one

C19H24ClN3O2 — CID 90887102

About 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one

1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one (PubChem CID 90887102) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one.

Molecular Properties

• Compound Name: 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one
• PubChem CID: 90887102
• Molecular Formula: C19H24ClN3O2
• Molecular Weight: 361.87 g/mol
• Exact Mass: 361.16
• IUPAC Name: 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one
• SMILES: CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)CN2CCOCC2)C1
• InChI: InChI=1S/C19H24ClN3O2/c1-21-5-4-19-17(13-21)16-10-14(20)2-3-18(16)23(19)12-15(24)11-22-6-8-25-9-7-22/h2-3,10H,4-9,11-13H2,1H3
• InChIKey: JJWVCMYRIIPJPU-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 37.71 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.87
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one?

The IUPAC name of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one (CID 90887102) is 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one.

What is the SMILES notation for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one?

The canonical SMILES for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one is CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)CN2CCOCC2)C1.

What is the InChIKey of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one?

The InChIKey is JJWVCMYRIIPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-21-5-4-19-17(13-21)16-10-14(20)2-3-18(16)23(19)12-15(24)11-22-6-8-25-9-7-22/h2-3,10H,4-9,11-13H2,1H3.

What are the key properties of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one?

1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one has a molecular weight of 361.87 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 90887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).