N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide

C27H32N4O4 — CID 88890911

IUPACN-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide
SMILESCC(C)(CC(=O)NO)CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C27H32N4O4/c1-26(2,17-27(3,4)16-23(33)31-35)15-22(32)29-20-12-10-19(11-13-20)25(34)30-21-9-5-7-18-8-6-14-28-24(18)21/h5-14,35H,15-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyUDJUHQOSFUBMBX-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.15
Rot. Bonds9

About N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide

N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide (PubChem CID 88890911) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide.

Molecular Properties

Compound NameN-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide
PubChem CID88890911
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide
SMILESCC(C)(CC(=O)NO)CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C27H32N4O4/c1-26(2,17-27(3,4)16-23(33)31-35)15-22(32)29-20-12-10-19(11-13-20)25(34)30-21-9-5-7-18-8-6-14-28-24(18)21/h5-14,35H,15-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyUDJUHQOSFUBMBX-UHFFFAOYSA-N
XLogP5.15
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide 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

N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
N-[4-[2-fluoro-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]cyclohexa-1,3-dien-5-yn-1-yl]-N'-hydroxy-3,3,5,5-tetramethylheptanediamide
CID 123471924
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066
N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide
CID 88890912
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
4-(dipropylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 132575418
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide?
The IUPAC name of N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide (CID 88890911) is N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide.
What is the SMILES notation for N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide?
The canonical SMILES for N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide is CC(C)(CC(=O)NO)CC(C)(C)CC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide?
The InChIKey is UDJUHQOSFUBMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-26(2,17-27(3,4)16-23(33)31-35)15-22(32)29-20-12-10-19(11-13-20)25(34)30-21-9-5-7-18-8-6-14-28-24(18)21/h5-14,35H,15-17H2,1-4H3,(H,29,32)(H,30,34)(H,31,33).
What are the key properties of N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide?
N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide has a molecular weight of 476.58 g/mol, XLogP of 5.15, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide is sourced from PubChem (CID 88890911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).