N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C28H32N4O4 — CID 20729933

IUPACN-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3C(C(=O)NO)CCCC3N3CCC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H32N4O4/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/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)
InChIKeyFKZNSCVYCFICSW-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.60
Rot. Bonds7

About N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 20729933) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-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
PubChem CID20729933
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3C(C(=O)NO)CCCC3N3CCC3)cc2)c2ccccc2n1
InChIInChI=1S/C28H32N4O4/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/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)
InChIKeyFKZNSCVYCFICSW-UHFFFAOYSA-N
XLogP3.60
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[(1S,2S)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide;2,2,2-trifluoroacetic acid
CID 87907442
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
CID 58582396
1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 22258660
N-[(1R,2S)-2-(hydroxycarbamoyl)-4-(methylamino)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 59876337
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
(3R,4S)-1-(2,2-dimethylpropanoyl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]piperidine-4-carboxamide
CID 87907354
N-[2-methyl-6-(methylamino)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729957
N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729939

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-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 (CID 20729933) is N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-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?
The canonical SMILES for N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3C(C(=O)NO)CCCC3N3CCC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is FKZNSCVYCFICSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/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/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).
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-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 488.59 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 20729933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).