(1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide

C24H24N2O3 — CID 163774291

IUPAC(1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide
SMILESCc1cc(COc2ccc([C@@H]3CC=C[C@H](C(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C24H24N2O3/c1-16-13-20(22-7-2-3-8-23(22)25-16)15-29-21-11-9-17(10-12-21)18-5-4-6-19(14-18)24(27)26-28/h2-4,6-13,18-19,28H,5,14-15H2,1H3,(H,26,27)/t18-,19+/m1/s1
InChIKeyMJBUAHVGGRWQPG-MOPGFXCFSA-N
MW388.47 g/mol
LogP4.68
Rot. Bonds5

About (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide

(1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide (PubChem CID 163774291) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide
PubChem CID163774291
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide
SMILESCc1cc(COc2ccc([C@@H]3CC=C[C@H](C(=O)NO)C3)cc2)c2ccccc2n1
InChIInChI=1S/C24H24N2O3/c1-16-13-20(22-7-2-3-8-23(22)25-16)15-29-21-11-9-17(10-12-21)18-5-4-6-19(14-18)24(27)26-28/h2-4,6-13,18-19,28H,5,14-15H2,1H3,(H,26,27)/t18-,19+/m1/s1
InChIKeyMJBUAHVGGRWQPG-MOPGFXCFSA-N
XLogP4.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-2-(hydroxycarbamoyl)-4-(methylamino)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 59876337
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
(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-[(1R,2R)-4-(dimethylamino)-2-(hydroxycarbamoyl)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 87907404
methyl (1R)-3-(hydroxycarbamoyl)-2,2-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978639
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
2-N-hydroxy-1-N,1-N-dimethyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 20748602
N-[2-(azetidin-1-yl)-6-(hydroxycarbamoyl)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729933
cis-(1R,2S)-1-N-tert-butyl-2-N-hydroxy-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
CID 59978422
N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 73127838
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxolane-3-carboxamide
CID 11855328

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide?
The IUPAC name of (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide (CID 163774291) is (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide?
The canonical SMILES for (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide is Cc1cc(COc2ccc([C@@H]3CC=C[C@H](C(=O)NO)C3)cc2)c2ccccc2n1.
What is the InChIKey of (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide?
The InChIKey is MJBUAHVGGRWQPG-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-13-20(22-7-2-3-8-23(22)25-16)15-29-21-11-9-17(10-12-21)18-5-4-6-19(14-18)24(27)26-28/h2-4,6-13,18-19,28H,5,14-15H2,1H3,(H,26,27)/t18-,19+/m1/s1.
What are the key properties of (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide?
(1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-hydroxy-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 163774291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).