N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C85H99N9O9 — CID 158734868

IUPACN-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESC1CCC1.Cc1cc(COc2ccc(C(=O)NC3C(=O)CCCC3C)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C(=O)NC3C(C(=O)NO)CCCC3N3CCC3)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C(=O)NC3C(C)CCCC3N3CCC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H32N4O4.C28H33N3O2.C25H26N2O3.C4H8/c1-18-16-20(22-6-2-3-8-24(22)29-18)17-36-21-12-10-19(11-13-21)27(33)30-26-23(28(34)31-35)7-4-9-25(26)32-14-5-15-32;1-19-7-5-10-26(31-15-6-16-31)27(19)30-28(32)21-11-13-23(14-12-21)33-18-22-17-20(2)29-25-9-4-3-8-24(22)25;1-16-6-5-9-23(28)24(16)27-25(29)18-10-12-20(13-11-18)30-15-19-14-17(2)26-22-8-4-3-7-21(19)22;1-2-4-3-1/h2-3,6,8,10-13,16,23,25-26,35H,4-5,7,9,14-15,17H2,1H3,(H,30,33)(H,31,34);3-4,8-9,11-14,17,19,26-27H,5-7,10,15-16,18H2,1-2H3,(H,30,32);3-4,7-8,10-14,16,24H,5-6,9,15H2,1-2H3,(H,27,29);1-4H2
InChIKeyILOCBUPNKTZXOF-UHFFFAOYSA-N
MW1390.78 g/mol
LogP14.89
Rot. Bonds18

About N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 158734868) has the molecular formula C85H99N9O9 and a molecular weight of 1390.78 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID158734868
Molecular FormulaC85H99N9O9
Molecular Weight1390.78 g/mol
Exact Mass1389.76
IUPAC NameN-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESC1CCC1.Cc1cc(COc2ccc(C(=O)NC3C(=O)CCCC3C)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C(=O)NC3C(C(=O)NO)CCCC3N3CCC3)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C(=O)NC3C(C)CCCC3N3CCC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H32N4O4.C28H33N3O2.C25H26N2O3.C4H8/c1-18-16-20(22-6-2-3-8-24(22)29-18)17-36-21-12-10-19(11-13-21)27(33)30-26-23(28(34)31-35)7-4-9-25(26)32-14-5-15-32;1-19-7-5-10-26(31-15-6-16-31)27(19)30-28(32)21-11-13-23(14-12-21)33-18-22-17-20(2)29-25-9-4-3-8-24(22)25;1-16-6-5-9-23(28)24(16)27-25(29)18-10-12-20(13-11-18)30-15-19-14-17(2)26-22-8-4-3-7-21(19)22;1-2-4-3-1/h2-3,6,8,10-13,16,23,25-26,35H,4-5,7,9,14-15,17H2,1H3,(H,30,33)(H,31,34);3-4,8-9,11-14,17,19,26-27H,5-7,10,15-16,18H2,1-2H3,(H,30,32);3-4,7-8,10-14,16,24H,5-6,9,15H2,1-2H3,(H,27,29);1-4H2
InChIKeyILOCBUPNKTZXOF-UHFFFAOYSA-N
XLogP14.89
TPSA226.54 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.78
LogP ≤ 514.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide with MolForge

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Related Compounds

N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 10276473
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
(3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methoxy)benzamido)-1-(prop-2-ynyl)pyrrolidine-3-carboxamide
CID 11753905
(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
methyl (3S,4S)-3-(hydroxycarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-1-carboxylate
CID 44455499
(3S,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-prop-2-enylpyrrolidine-3-carboxamide
CID 44455879
N-(2-(hydroxycarbamoyl)cyclobutyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 44446355
(3S,4S)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxane-4-carboxamide
CID 44446361
(3S,4S)-1-cyclobutyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 44455829

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 158734868) is N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is C1CCC1.Cc1cc(COc2ccc(C(=O)NC3C(=O)CCCC3C)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C(=O)NC3C(C(=O)NO)CCCC3N3CCC3)cc2)c2ccccc2n1.Cc1cc(COc2ccc(C(=O)NC3C(C)CCCC3N3CCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is ILOCBUPNKTZXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4.C28H33N3O2.C25H26N2O3.C4H8/c1-18-16-20(22-6-2-3-8-24(22)29-18)17-36-21-12-10-19(11-13-21)27(33)30-26-23(28(34)31-35)7-4-9-25(26)32-14-5-15-32;1-19-7-5-10-26(31-15-6-16-31)27(19)30-28(32)21-11-13-23(14-12-21)33-18-22-17-20(2)29-25-9-4-3-8-24(22)25;1-16-6-5-9-23(28)24(16)27-25(29)18-10-12-20(13-11-18)30-15-19-14-17(2)26-22-8-4-3-7-21(19)22;1-2-4-3-1/h2-3,6,8,10-13,16,23,25-26,35H,4-5,7,9,14-15,17H2,1H3,(H,30,33)(H,31,34);3-4,8-9,11-14,17,19,26-27H,5-7,10,15-16,18H2,1-2H3,(H,30,32);3-4,7-8,10-14,16,24H,5-6,9,15H2,1-2H3,(H,27,29);1-4H2.
What are the key properties of N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 1390.78 g/mol, XLogP of 14.89, 18 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;N-[2-(azetidin-1-yl)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;cyclobutane;N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 158734868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).