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

C17H16ClFN2O2 — CID 130345474

IUPAC4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(Cl)c(F)cc32)cc1
InChIInChI=1S/C17H16ClFN2O2/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)
InChIKeyXOJVBRCAEOFWNA-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.55
Rot. Bonds3

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

4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide (PubChem CID 130345474) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
PubChem CID130345474
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(Cl)c(F)cc32)cc1
InChIInChI=1S/C17H16ClFN2O2/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)
InChIKeyXOJVBRCAEOFWNA-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-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SW-100
CID 130345472
4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164610864
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
4-{[(4-chlorophenyl)amino]methyl}-N-hydroxybenzamide
CID 25218545
4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164609106
(2R)-2-[1-(3-chlorobenzoyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-(4-fluorophenyl)propanamide
CID 164617677
(2-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
3-Chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-phenyl]-benzamide
CID 10548464
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-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide (CID 130345474) is 4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2CCCc3cc(Cl)c(F)cc32)cc1.
What is the InChIKey of 4-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
The InChIKey is XOJVBRCAEOFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/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-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide?
4-[(6-chloro-7-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-[(6-chloro-7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 130345474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).