4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide

C17H17N3O2 — CID 167114634

IUPAC4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNc2cccc3c2CCC=N3)cc1
InChIInChI=1S/C17H17N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1,4-10,19,22H,2-3,11H2,(H,20,21)
InChIKeyXTNHSRXYDGBKCU-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.07
Rot. Bonds4

About 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide

4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide (PubChem CID 167114634) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide
PubChem CID167114634
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNc2cccc3c2CCC=N3)cc1
InChIInChI=1S/C17H17N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1,4-10,19,22H,2-3,11H2,(H,20,21)
InChIKeyXTNHSRXYDGBKCU-UHFFFAOYSA-N
XLogP3.07
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
CID 170564867
N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
4-[(2-bromoanilino)methyl]-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzamide
CID 145489204
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
CID 142755257
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
4-[(2-fluoroanilino)methyl]-N-methylbenzamide
CID 54888541
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
4-[(2-bromo-3-chloroanilino)methyl]benzoic acid
CID 103478689
ethane;4-ethyl-N-hydroxybenzamide
CID 142831550
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
N-hydroxy-4-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 54674805

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide (CID 167114634) is 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CNc2cccc3c2CCC=N3)cc1.
What is the InChIKey of 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide?
The InChIKey is XTNHSRXYDGBKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1,4-10,19,22H,2-3,11H2,(H,20,21).
What are the key properties of 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide?
4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dihydroquinolin-5-ylamino)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 167114634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).