N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide

C36H36N6O6 — CID 88890912

IUPACN-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide
SMILESCC(CC(=O)NO)CC(C)CC(=O)Nc1ccc(C(O)(C(=O)Nc2cccc3cccnc23)C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C36H36N6O6/c1-22(19-23(2)21-31(44)42-48)20-30(43)39-27-15-13-26(14-16-27)36(47,34(45)40-28-11-3-7-24-9-5-17-37-32(24)28)35(46)41-29-12-4-8-25-10-6-18-38-33(25)29/h3-18,22-23,47-48H,19-21H2,1-2H3,(H,39,43)(H,40,45)(H,41,46)(H,42,44)
InChIKeyUDTGQOHCWBCDMA-UHFFFAOYSA-N
MW648.72 g/mol
LogP5.13
Rot. Bonds12

About N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide

N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide (PubChem CID 88890912) has the molecular formula C36H36N6O6 and a molecular weight of 648.72 g/mol. Its IUPAC name is N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide
PubChem CID88890912
Molecular FormulaC36H36N6O6
Molecular Weight648.72 g/mol
Exact Mass648.27
IUPAC NameN-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide
SMILESCC(CC(=O)NO)CC(C)CC(=O)Nc1ccc(C(O)(C(=O)Nc2cccc3cccnc23)C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C36H36N6O6/c1-22(19-23(2)21-31(44)42-48)20-30(43)39-27-15-13-26(14-16-27)36(47,34(45)40-28-11-3-7-24-9-5-17-37-32(24)28)35(46)41-29-12-4-8-25-10-6-18-38-33(25)29/h3-18,22-23,47-48H,19-21H2,1-2H3,(H,39,43)(H,40,45)(H,41,46)(H,42,44)
InChIKeyUDTGQOHCWBCDMA-UHFFFAOYSA-N
XLogP5.13
TPSA182.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500648.72
LogP ≤ 55.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
CID 112989286
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
N-hydroxy-3,3,5,5-tetramethyl-N'-[4-(quinolin-8-ylcarbamoyl)phenyl]heptanediamide
CID 88890911
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide
CID 54674804
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide?
The IUPAC name of N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide (CID 88890912) is N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide.
What is the SMILES notation for N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide?
The canonical SMILES for N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide is CC(CC(=O)NO)CC(C)CC(=O)Nc1ccc(C(O)(C(=O)Nc2cccc3cccnc23)C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide?
The InChIKey is UDTGQOHCWBCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N6O6/c1-22(19-23(2)21-31(44)42-48)20-30(43)39-27-15-13-26(14-16-27)36(47,34(45)40-28-11-3-7-24-9-5-17-37-32(24)28)35(46)41-29-12-4-8-25-10-6-18-38-33(25)29/h3-18,22-23,47-48H,19-21H2,1-2H3,(H,39,43)(H,40,45)(H,41,46)(H,42,44).
What are the key properties of N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide?
N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide has a molecular weight of 648.72 g/mol, XLogP of 5.13, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-[2-hydroxy-1,3-dioxo-1,3-bis(quinolin-8-ylamino)propan-2-yl]phenyl]-3,5-dimethylheptanediamide is sourced from PubChem (CID 88890912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).