N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide

C48H50N6O8 — CID 158263493

IUPACN-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide
SMILESCc1cc(COc2ccc(CC(=O)N3CC(C(=O)NO)C3)cc2)c2ccccc2n1.Cc1cc(COc2ccc(CC(=O)N3CCCC(C(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C25H27N3O4.C23H23N3O4/c1-17-13-20(22-6-2-3-7-23(22)26-17)16-32-21-10-8-18(9-11-21)14-24(29)28-12-4-5-19(15-28)25(30)27-31;1-15-10-17(20-4-2-3-5-21(20)24-15)14-30-19-8-6-16(7-9-19)11-22(27)26-12-18(13-26)23(28)25-29/h2-3,6-11,13,19,31H,4-5,12,14-16H2,1H3,(H,27,30);2-10,18,29H,11-14H2,1H3,(H,25,28)
InChIKeyGIDUEFVARYNZBD-UHFFFAOYSA-N
MW838.96 g/mol
LogP6.04
Rot. Bonds12

About N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide

N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide (PubChem CID 158263493) has the molecular formula C48H50N6O8 and a molecular weight of 838.96 g/mol. Its IUPAC name is N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide
PubChem CID158263493
Molecular FormulaC48H50N6O8
Molecular Weight838.96 g/mol
Exact Mass838.37
IUPAC NameN-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide
SMILESCc1cc(COc2ccc(CC(=O)N3CC(C(=O)NO)C3)cc2)c2ccccc2n1.Cc1cc(COc2ccc(CC(=O)N3CCCC(C(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C25H27N3O4.C23H23N3O4/c1-17-13-20(22-6-2-3-7-23(22)26-17)16-32-21-10-8-18(9-11-21)14-24(29)28-12-4-5-19(15-28)25(30)27-31;1-15-10-17(20-4-2-3-5-21(20)24-15)14-30-19-8-6-16(7-9-19)11-22(27)26-12-18(13-26)23(28)25-29/h2-3,6-11,13,19,31H,4-5,12,14-16H2,1H3,(H,27,30);2-10,18,29H,11-14H2,1H3,(H,25,28)
InChIKeyGIDUEFVARYNZBD-UHFFFAOYSA-N
XLogP6.04
TPSA183.52 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.96
LogP ≤ 56.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Bms-561392
CID 9847838
(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide
CID 24799781
IM-491
CID 9889867
N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
(S)-N-Hydroxy-2-{(R)-1-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-2-oxo-pyrrolidin-3-yl}-propionamide
CID 9953861
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
(3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-phenylcarbamoyl]-piperidine-1-carboxylic acid methyl ester
CID 22956916
(3R,4S)-3-Hydroxycarbamoyl-4-[4-(2-methyl-quinolin-4-ylmethoxy)-phenylcarbamoyl]-piperidine-1-carboxylic acid isopropyl ester
CID 22956934
(3R,4S)-1-N-tert-butyl-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-1,3,4-tricarboxamide
CID 44356993
(3R,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
CID 44446357
(3S,4S)-N-hydroxy-3-(4-((2-methylquinolin-4-yl)methoxy)benzamido)piperidine-4-carboxamide
CID 44446358

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide (CID 158263493) is N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide is Cc1cc(COc2ccc(CC(=O)N3CC(C(=O)NO)C3)cc2)c2ccccc2n1.Cc1cc(COc2ccc(CC(=O)N3CCCC(C(=O)NO)C3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide?
The InChIKey is GIDUEFVARYNZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4.C23H23N3O4/c1-17-13-20(22-6-2-3-7-23(22)26-17)16-32-21-10-8-18(9-11-21)14-24(29)28-12-4-5-19(15-28)25(30)27-31;1-15-10-17(20-4-2-3-5-21(20)24-15)14-30-19-8-6-16(7-9-19)11-22(27)26-12-18(13-26)23(28)25-29/h2-3,6-11,13,19,31H,4-5,12,14-16H2,1H3,(H,27,30);2-10,18,29H,11-14H2,1H3,(H,25,28).
What are the key properties of N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide?
N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide has a molecular weight of 838.96 g/mol, XLogP of 6.04, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]azetidine-3-carboxamide;N-hydroxy-1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 158263493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).