2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide

C23H26N4O4 — CID 22616989

IUPAC2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
SMILESCc1cc(COc2ccc(C(N)C(=O)NC(C)(C)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H26N4O4/c1-14-12-16(18-6-4-5-7-19(18)25-14)13-31-17-10-8-15(9-11-17)20(24)21(28)26-23(2,3)22(29)27-30/h4-12,20,30H,13,24H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyBSCKPTDJJWCUAC-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.52
Rot. Bonds7

About 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide

2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide (PubChem CID 22616989) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
PubChem CID22616989
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
SMILESCc1cc(COc2ccc(C(N)C(=O)NC(C)(C)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C23H26N4O4/c1-14-12-16(18-6-4-5-7-19(18)25-14)13-31-17-10-8-15(9-11-17)20(24)21(28)26-23(2,3)22(29)27-30/h4-12,20,30H,13,24H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyBSCKPTDJJWCUAC-UHFFFAOYSA-N
XLogP2.52
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.52
H-Bond Donors ≤ 54
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 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide?
The IUPAC name of 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide (CID 22616989) is 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide.
What is the SMILES notation for 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide?
The canonical SMILES for 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide is Cc1cc(COc2ccc(C(N)C(=O)NC(C)(C)C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide?
The InChIKey is BSCKPTDJJWCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-14-12-16(18-6-4-5-7-19(18)25-14)13-31-17-10-8-15(9-11-17)20(24)21(28)26-23(2,3)22(29)27-30/h4-12,20,30H,13,24H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide?
2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide has a molecular weight of 422.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22616989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).