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

C17H16ClFN2O2 — CID 130361804

IUPAC4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(F)c(Cl)cc32)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-14-9-16-13(8-15(14)19)2-1-7-21(16)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
InChIKeyPZACMBRKMPZKSA-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.55
Rot. Bonds3

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

4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 130361804) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID130361804
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(F)c(Cl)cc32)cc1
InChIInChI=1S/C17H16ClFN2O2/c18-14-9-16-13(8-15(14)19)2-1-7-21(16)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
InChIKeyPZACMBRKMPZKSA-UHFFFAOYSA-N
XLogP3.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.55
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-[(7-chloro-6-fluoro-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
Methanone, (4-chlorophenyl)[4-(4-fluorophenyl)-1-piperazinyl]-
CID 720118
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164609106
(2-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
(+/-)-N-(1-(4-chlorobenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 10251489
4-chloro-3-[1-(2-chloro-6-fluorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 72720884
US10456394, Example 3
CID 130345433
US10456394, Example 12
CID 130345441
US10456394, Example 4
CID 130345448
US10456394, Example 13
CID 130345449

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide (CID 130361804) is 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2CCCc3cc(F)c(Cl)cc32)cc1.
What is the InChIKey of 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is PZACMBRKMPZKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-14-9-16-13(8-15(14)19)2-1-7-21(16)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-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-6-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 130361804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).