N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide

C25H30N4O3 — CID 50899532

IUPACN-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4cc(CCN5CCOCC5)ccc42)CCNC3)cc1
InChIInChI=1S/C25H30N4O3/c30-25(27-31)20-4-1-19(2-5-20)17-29-23-6-3-18(8-10-28-11-13-32-14-12-28)15-22(23)21-7-9-26-16-24(21)29/h1-6,15,26,31H,7-14,16-17H2,(H,27,30)
InChIKeyHUNRQDXPNSOEOP-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.33
Rot. Bonds6

About N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide

N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide (PubChem CID 50899532) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide
PubChem CID50899532
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2c3c(c4cc(CCN5CCOCC5)ccc42)CCNC3)cc1
InChIInChI=1S/C25H30N4O3/c30-25(27-31)20-4-1-19(2-5-20)17-29-23-6-3-18(8-10-28-11-13-32-14-12-28)15-22(23)21-7-9-26-16-24(21)29/h1-6,15,26,31H,7-14,16-17H2,(H,27,30)
InChIKeyHUNRQDXPNSOEOP-UHFFFAOYSA-N
XLogP2.33
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-methyl-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]cyclohexa-1,5-diene-1-carboxamide
CID 138600207
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine
CID 23149902
4-[[1,14-dimethyl-5-(2-morpholin-4-ylethoxy)-13,15-dioxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl]methyl]-N-hydroxybenzamide
CID 177379343
4-[(8-bromo-2-oxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
CID 134504236
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905402
4-[(8-bromo-2,2-dioxo-3,4-dihydro-1H-thiopyrano[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
CID 118656855
N-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 71133573
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
4-[[6-fluoro-3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-4-oxo-2,3-dihydro-1H-carbazol-9-yl]methyl]-N-hydroxybenzamide
CID 71526559
N-[3-(dimethylamino)propyl]-5-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 50899531
4-[[2-[2-(2-aminoethoxy)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
CID 164771737

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide (CID 50899532) is N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide is O=C(NO)c1ccc(Cn2c3c(c4cc(CCN5CCOCC5)ccc42)CCNC3)cc1.
What is the InChIKey of N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide?
The InChIKey is HUNRQDXPNSOEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-25(27-31)20-4-1-19(2-5-20)17-29-23-6-3-18(8-10-28-11-13-32-14-12-28)15-22(23)21-7-9-26-16-24(21)29/h1-6,15,26,31H,7-14,16-17H2,(H,27,30).
What are the key properties of N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide?
N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide is sourced from PubChem (CID 50899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).