3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol

C18H18N4O4 — CID 135856969

IUPAC3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIInChI=1S/C18H18N4O4/c23-18-17(14-9-13(22(24)25)2-4-15(14)20-18)16-3-1-12(10-19-16)11-21-5-7-26-8-6-21/h1-4,9-10,20,23H,5-8,11H2
InChIKeyLWALMTHYEOSAEP-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.68
Rot. Bonds4

About 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol

3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol (PubChem CID 135856969) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol
PubChem CID135856969
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIInChI=1S/C18H18N4O4/c23-18-17(14-9-13(22(24)25)2-4-15(14)20-18)16-3-1-12(10-19-16)11-21-5-7-26-8-6-21/h1-4,9-10,20,23H,5-8,11H2
InChIKeyLWALMTHYEOSAEP-UHFFFAOYSA-N
XLogP2.68
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonyl]amino]propane-1-sulfinic acid
CID 174495870
2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride
CID 135514495
2-hydroxy-3-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-1H-indole-5-carboxamide
CID 135524927
2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride
CID 135423380
(3E)-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-3-(2-morpholin-4-ylethoxyimino)indol-5-ol;hydrochloride
CID 162664087
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-4-nitrophenol
CID 961055
N-benzyl-2-hydroxy-3-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-indole-5-carboxamide;dihydrochloride
CID 135451047
2-[2-[[5-cyano-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indol-2-yl]oxy]-2-oxoethyl]-2-hydroxybutanedioic acid;hydrate
CID 68748732
[6-(2-hydroxy-5-nitro-1H-indol-3-yl)-3-pyridinyl]-[2-(1H-pyrrol-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 175241530
4-(dimethylamino)-1-[6-(2-hydroxy-5-nitro-1H-indol-3-yl)-3-pyridinyl]-2-iminopentan-1-one;hydrochloride
CID 174467911
4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
CID 68612224
2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride
CID 138396721

Frequently Asked Questions

What is the IUPAC name of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol?
The IUPAC name of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol (CID 135856969) is 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol.
What is the SMILES notation for 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol?
The canonical SMILES for 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol is O=[N+]([O-])c1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1.
What is the InChIKey of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol?
The InChIKey is LWALMTHYEOSAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-18-17(14-9-13(22(24)25)2-4-15(14)20-18)16-3-1-12(10-19-16)11-21-5-7-26-8-6-21/h1-4,9-10,20,23H,5-8,11H2.
What are the key properties of 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol?
3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol has a molecular weight of 354.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-5-nitro-1H-indol-2-ol is sourced from PubChem (CID 135856969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).