N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride

C28H32ClN5O6 — CID 137376562

IUPACN-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride
SMILESCN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCC[NH+]5CCOCC5)cc34)CCN2C1=O.[Cl-]
InChIInChI=1S/C28H31N5O6.ClH/c1-30-27(35)25-24-21-16-20(39-15-12-31-10-13-38-14-11-31)6-7-22(21)33(23(24)8-9-32(25)28(30)36)17-18-2-4-19(5-3-18)26(34)29-37;/h2-7,16,25,37H,8-15,17H2,1H3,(H,29,34);1H
InChIKeyGOQUOGHEOSDTEC-UHFFFAOYSA-N
MW570.05 g/mol
LogP-2.40
Rot. Bonds7

About N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride

N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride (PubChem CID 137376562) has the molecular formula C28H32ClN5O6 and a molecular weight of 570.05 g/mol. Its IUPAC name is N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride.

Molecular Properties

Compound NameN-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride
PubChem CID137376562
Molecular FormulaC28H32ClN5O6
Molecular Weight570.05 g/mol
Exact Mass569.20
IUPAC NameN-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride
SMILESCN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCC[NH+]5CCOCC5)cc34)CCN2C1=O.[Cl-]
InChIInChI=1S/C28H31N5O6.ClH/c1-30-27(35)25-24-21-16-20(39-15-12-31-10-13-38-14-11-31)6-7-22(21)33(23(24)8-9-32(25)28(30)36)17-18-2-4-19(5-3-18)26(34)29-37;/h2-7,16,25,37H,8-15,17H2,1H3,(H,29,34);1H
InChIKeyGOQUOGHEOSDTEC-UHFFFAOYSA-N
XLogP-2.40
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.05
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride with MolForge

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Related Compounds

Morpholine-4-carboxylic acid (((S)-hydroxycarbamoyl)-{(R)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-2-oxo-pyrrolidin-3-yl}-methyl)-amide
CID 9807105
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
N-hydroxy-4-[(14-methyl-13,15-dioxo-5-phenylmethoxy-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
CID 118884505
N-hydroxy-4-[(5-methoxy-14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-9-yl)methyl]benzamide
CID 118884679
N-hydroxy-4-[(5-methoxy-14-methyl-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]benzamide
CID 130238420
N-hydroxy-4-[(6-methoxy-14-methyl-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]benzamide
CID 130238474
N-hydroxy-4-[[14-methyl-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]benzamide;hydrochloride
CID 137638837
5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methyl-N-prop-2-ynylindole-2-carboxamide
CID 76332875
(R)-8-(3-(2-methylpyrrolidin-1-yl)propoxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16122898
(S)-N-(1-benzylpiperidin-4-yl)-2-((S)-8-methoxy-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)propanamide
CID 16401695
8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16679518
8-(3-(piperidin-1-yl)propoxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16679519

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride?
The IUPAC name of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride (CID 137376562) is N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride.
What is the SMILES notation for N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride?
The canonical SMILES for N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride is CN1C(=O)C2c3c(n(Cc4ccc(C(=O)NO)cc4)c4ccc(OCC[NH+]5CCOCC5)cc34)CCN2C1=O.[Cl-].
What is the InChIKey of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride?
The InChIKey is GOQUOGHEOSDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O6.ClH/c1-30-27(35)25-24-21-16-20(39-15-12-31-10-13-38-14-11-31)6-7-22(21)33(23(24)8-9-32(25)28(30)36)17-18-2-4-19(5-3-18)26(34)29-37;/h2-7,16,25,37H,8-15,17H2,1H3,(H,29,34);1H.
What are the key properties of N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride?
N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride has a molecular weight of 570.05 g/mol, XLogP of -2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-methyl-14-(2-morpholin-4-ium-4-ylethoxy)-3,5-dioxo-4,6,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl]methyl]benzamide chloride is sourced from PubChem (CID 137376562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).