9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one

C19H25N3O3 — CID 713048

IUPAC9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
SMILESCN1CCc2c(n(C[C@H](O)CN3CCOCC3)c3ccccc23)C1=O
InChIInChI=1S/C19H25N3O3/c1-20-7-6-16-15-4-2-3-5-17(15)22(18(16)19(20)24)13-14(23)12-21-8-10-25-11-9-21/h2-5,14,23H,6-13H2,1H3/t14-/m1/s1
InChIKeyVATIEHMBFYAPDR-CQSZACIVSA-N
MW343.43 g/mol
LogP0.96
Rot. Bonds4

About 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one

9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one (PubChem CID 713048) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
PubChem CID713048
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
SMILESCN1CCc2c(n(C[C@H](O)CN3CCOCC3)c3ccccc23)C1=O
InChIInChI=1S/C19H25N3O3/c1-20-7-6-16-15-4-2-3-5-17(15)22(18(16)19(20)24)13-14(23)12-21-8-10-25-11-9-21/h2-5,14,23H,6-13H2,1H3/t14-/m1/s1
InChIKeyVATIEHMBFYAPDR-CQSZACIVSA-N
XLogP0.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 713053
9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3154656
9-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3914390
bis(2-hydroxyethyl)-[2-hydroxy-3-(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)propyl]azanium
CID 4223514
cyclopentyl-[(2S)-2-hydroxy-3-(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)propyl]azanium
CID 7069542
9-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 1085881
9-[2-hydroxy-3-(oxolan-2-ylmethylamino)propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3737826
9-[(2R)-3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 40927037
1-morpholin-4-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 3131870
(4-chlorophenyl)-[2-hydroxy-3-(2-methyl-1-oxo-3,4-dihydropyrido[3,4-b]indol-9-yl)propyl]azanium;2-hydroxy-2-oxoacetate
CID 44655398
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
The IUPAC name of 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one (CID 713048) is 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one is CN1CCc2c(n(C[C@H](O)CN3CCOCC3)c3ccccc23)C1=O.
What is the InChIKey of 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
The InChIKey is VATIEHMBFYAPDR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-20-7-6-16-15-4-2-3-5-17(15)22(18(16)19(20)24)13-14(23)12-21-8-10-25-11-9-21/h2-5,14,23H,6-13H2,1H3/t14-/m1/s1.
What are the key properties of 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one?
9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one has a molecular weight of 343.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 713048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).