4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide

C17H16Cl2N2O2 — CID 130345468

IUPAC4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
InChIKeyGXZOKLQVFRUCLC-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.07
Rot. Bonds3

About 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide

4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 130345468) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID130345468
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C17H16Cl2N2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
InChIKeyGXZOKLQVFRUCLC-UHFFFAOYSA-N
XLogP4.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide with MolForge

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Related Compounds

SW-100
CID 130345472
4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164610864
1-(3-Chlorophenyl)-4-(3,4-dichlorobenzoyl)piperazine
CID 1070143
4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164609106
US10456394, Example 3
CID 130345433
US10456394, Example 12
CID 130345441
US10456394, Example 4
CID 130345448
US10456394, Example 9
CID 130345450
US10456394, Example 8
CID 130345474
US10456394, Example 7
CID 130361804
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 156889604
4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-N-hydroxybenzamide
CID 164608861

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide (CID 130345468) is 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is GXZOKLQVFRUCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22).
What are the key properties of 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 351.23 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dichloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 130345468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).