N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C21H21N3O4 — CID 10293089

IUPACN-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCCC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C21H21N3O4/c1-14-12-16(18-4-2-3-5-19(18)23-14)13-28-17-8-6-15(7-9-17)21(26)22-11-10-20(25)24-27/h2-9,12,27H,10-11,13H2,1H3,(H,22,26)(H,24,25)
InChIKeyOLUVUMCJKSOAAV-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.75
Rot. Bonds7

About N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 10293089) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID10293089
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCCC(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C21H21N3O4/c1-14-12-16(18-4-2-3-5-19(18)23-14)13-28-17-8-6-15(7-9-17)21(26)22-11-10-20(25)24-27/h2-9,12,27H,10-11,13H2,1H3,(H,22,26)(H,24,25)
InChIKeyOLUVUMCJKSOAAV-UHFFFAOYSA-N
XLogP2.75
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.75
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 10293089) is N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NCCC(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is OLUVUMCJKSOAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-12-16(18-4-2-3-5-19(18)23-14)13-28-17-8-6-15(7-9-17)21(26)22-11-10-20(25)24-27/h2-9,12,27H,10-11,13H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 10293089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).