(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide

C24H25N3O4 — CID 16730519

IUPAC(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1cc(Cc2ccc(C(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-15-12-18(19-4-2-3-5-21(19)25-15)13-16-6-8-17(9-7-16)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1
InChIKeyNMHJSIJTDAPUMQ-RBBKRZOGSA-N
MW419.48 g/mol
LogP2.77
Rot. Bonds5

About (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide

(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide (PubChem CID 16730519) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide
PubChem CID16730519
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide
SMILESCc1cc(Cc2ccc(C(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C24H25N3O4/c1-15-12-18(19-4-2-3-5-21(19)25-15)13-16-6-8-17(9-7-16)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1
InChIKeyNMHJSIJTDAPUMQ-RBBKRZOGSA-N
XLogP2.77
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide with MolForge

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Related Compounds

SB 222200
CID 6604009
2-Ethyl indole, 19
CID 25138261
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
2-Methyl indole, 18
CID 25138260
(3S,4S)-tert-butyl 3-(hydroxycarbamoyl)-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-1-carboxylate
CID 44431842
(3S,4S)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide
CID 44431843
(3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide
CID 44431848
(3R,4R)-N-hydroxy-4-(4-((2-isopropylquinolin-4-yl)methyl)benzamido)-tetrahydro-2H-pyran-3-carboxamide
CID 44431856
(3R,4R)-4-(4-((2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl)benzamido)-N-hydroxy-tetrahydro-2H-pyran-3-carboxamide
CID 44431863
N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2873539
2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 2932589
N-[6-(hydroxyamino)-6-oxohexyl]acridine-4-carboxamide
CID 154731987

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The IUPAC name of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide (CID 16730519) is (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The canonical SMILES for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide is Cc1cc(Cc2ccc(C(=O)N[C@@H]3CCOC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
The InChIKey is NMHJSIJTDAPUMQ-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-12-18(19-4-2-3-5-21(19)25-15)13-16-6-8-17(9-7-16)23(28)26-22-10-11-31-14-20(22)24(29)27-30/h2-9,12,20,22,30H,10-11,13-14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1.
What are the key properties of (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide?
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 16730519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).