N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide

C26H30N4O4 — CID 54674804

IUPACN'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide
SMILESCC(C(=O)Nc1cccc2cccnc12)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C26H30N4O4/c1-18(26(33)29-22-10-6-8-20-9-7-17-27-25(20)22)19-13-15-21(16-14-19)28-23(31)11-4-2-3-5-12-24(32)30-34/h6-10,13-18,34H,2-5,11-12H2,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyJPFRDKOIXLHYGZ-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.76
Rot. Bonds11

About N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide

N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide (PubChem CID 54674804) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide
PubChem CID54674804
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide
SMILESCC(C(=O)Nc1cccc2cccnc12)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C26H30N4O4/c1-18(26(33)29-22-10-6-8-20-9-7-17-27-25(20)22)19-13-15-21(16-14-19)28-23(31)11-4-2-3-5-12-24(32)30-34/h6-10,13-18,34H,2-5,11-12H2,1H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyJPFRDKOIXLHYGZ-UHFFFAOYSA-N
XLogP4.76
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide 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-quinolin-8-ylundecanamide
CID 3567928
(2S)-N'-hydroxy-2-[2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoylamino]-N-quinolin-8-yloctanediamide
CID 52948188
2-[4-[[7-(hydroxyamino)-2,2-dimethyl-7-oxoheptyl]carbamoyl]phenyl]-N,N'-di(quinolin-8-yl)propanediamide
CID 123640053
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
CID 112989286
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
N-quinolin-8-yl-4-tri(propan-2-yl)silyloxybutanamide
CID 134160169
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide
CID 88890912
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide?
The IUPAC name of N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide (CID 54674804) is N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide is CC(C(=O)Nc1cccc2cccnc12)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide?
The InChIKey is JPFRDKOIXLHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-18(26(33)29-22-10-6-8-20-9-7-17-27-25(20)22)19-13-15-21(16-14-19)28-23(31)11-4-2-3-5-12-24(32)30-34/h6-10,13-18,34H,2-5,11-12H2,1H3,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide?
N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide has a molecular weight of 462.55 g/mol, XLogP of 4.76, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide is sourced from PubChem (CID 54674804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).