N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide

C22H22N4O3 — CID 118884591

IUPACN-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide
SMILESCN1CN2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C(C2)C1=O
InChIInChI=1S/C22H22N4O3/c1-24-13-25-11-17(22(24)28)20-16-4-2-3-5-18(16)26(19(20)12-25)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,17,29H,10-13H2,1H3,(H,23,27)
InChIKeyZNIMBGDYTMHQRA-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.14
Rot. Bonds3

About N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide

N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide (PubChem CID 118884591) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide
PubChem CID118884591
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide
SMILESCN1CN2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C(C2)C1=O
InChIInChI=1S/C22H22N4O3/c1-24-13-25-11-17(22(24)28)20-16-4-2-3-5-18(16)26(19(20)12-25)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,17,29H,10-13H2,1H3,(H,23,27)
InChIKeyZNIMBGDYTMHQRA-UHFFFAOYSA-N
XLogP2.14
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tubastatin A
CID 49850262
Marbostat-100
CID 118884610
(3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide
CID 44431843
(3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide
CID 44431848
N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 50898672
N-hydroxy-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide
CID 50898755
4-[[2-(3-amino-3-oxopropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
CID 50898756
4-[[2-(2-amino-2-oxoethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
CID 50898841
4-[(2-benzyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)methyl]-N-hydroxybenzamide
CID 50899050
N-hydroxy-4-[(14-methyl-13-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide
CID 118884590
N-hydroxy-4-[(14-methyl-13-oxo-15-sulfanylidene-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide
CID 118884676
N-hydroxy-4-[(14-methyl-15-oxo-13-sulfanylidene-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide
CID 130238385

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide (CID 118884591) is N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide is CN1CN2Cc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C(C2)C1=O.
What is the InChIKey of N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide?
The InChIKey is ZNIMBGDYTMHQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-24-13-25-11-17(22(24)28)20-16-4-2-3-5-18(16)26(19(20)12-25)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,17,29H,10-13H2,1H3,(H,23,27).
What are the key properties of N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide?
N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(14-methyl-15-oxo-9,12,14-triazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-9-yl)methyl]benzamide is sourced from PubChem (CID 118884591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).