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

C22H22N4O3 — CID 118884590

IUPACN-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
SMILESCN1CC2CN(Cc3c2c2ccccc2n3Cc2ccc(C(=O)NO)cc2)C1=O
InChIInChI=1S/C22H22N4O3/c1-24-11-16-12-25(22(24)28)13-19-20(16)17-4-2-3-5-18(17)26(19)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,16,29H,10-13H2,1H3,(H,23,27)
InChIKeyOTQUQELEODAVON-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.77
Rot. Bonds3

About 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

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 (PubChem CID 118884590) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID118884590
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-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
SMILESCN1CC2CN(Cc3c2c2ccccc2n3Cc2ccc(C(=O)NO)cc2)C1=O
InChIInChI=1S/C22H22N4O3/c1-24-11-16-12-25(22(24)28)13-19-20(16)17-4-2-3-5-18(17)26(19)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,16,29H,10-13H2,1H3,(H,23,27)
InChIKeyOTQUQELEODAVON-UHFFFAOYSA-N
XLogP2.77
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-13-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

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Related Compounds

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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
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CID 50898756
4-[[2-(2-amino-2-oxoethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-hydroxybenzamide
CID 50898841

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC2CN(Cc3c2c2ccccc2n3Cc2ccc(C(=O)NO)cc2)C1=O.
What is the InChIKey of 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?
The InChIKey is OTQUQELEODAVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-24-11-16-12-25(22(24)28)13-19-20(16)17-4-2-3-5-18(17)26(19)10-14-6-8-15(9-7-14)21(27)23-29/h2-9,16,29H,10-13H2,1H3,(H,23,27).
What are the key properties of 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?
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 has a molecular weight of 390.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118884590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).