(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide

C23H23N3O5 — CID 10320002

IUPAC(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@@H]3COC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H23N3O5/c1-14-10-16(18-4-2-3-5-20(18)24-14)11-31-17-8-6-15(7-9-17)22(27)25-21-13-30-12-19(21)23(28)26-29/h2-10,19,21,29H,11-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
InChIKeyNASYCHQKVXYGPX-PZJWPPBQSA-N
MW421.45 g/mol
LogP2.37
Rot. Bonds6

About (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide

(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide (PubChem CID 10320002) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide
PubChem CID10320002
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide
SMILESCc1cc(COc2ccc(C(=O)N[C@@H]3COC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H23N3O5/c1-14-10-16(18-4-2-3-5-20(18)24-14)11-31-17-8-6-15(7-9-17)22(27)25-21-13-30-12-19(21)23(28)26-29/h2-10,19,21,29H,11-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1
InChIKeyNASYCHQKVXYGPX-PZJWPPBQSA-N
XLogP2.37
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide?
The IUPAC name of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide (CID 10320002) is (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide?
The canonical SMILES for (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide is Cc1cc(COc2ccc(C(=O)N[C@@H]3COC[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide?
The InChIKey is NASYCHQKVXYGPX-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14-10-16(18-4-2-3-5-20(18)24-14)11-31-17-8-6-15(7-9-17)22(27)25-21-13-30-12-19(21)23(28)26-29/h2-10,19,21,29H,11-13H2,1H3,(H,25,27)(H,26,28)/t19-,21+/m0/s1.
What are the key properties of (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide?
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide is sourced from PubChem (CID 10320002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).