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

C17H16ClFN2O2 — CID 130345433

IUPAC4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(Cl)ccc32)c(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-14-5-6-16-11(8-14)2-1-7-21(16)10-13-4-3-12(9-15(13)19)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
InChIKeyYWGJBRYPUNDFFF-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.55
Rot. Bonds3

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

4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide (PubChem CID 130345433) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide
PubChem CID130345433
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCc3cc(Cl)ccc32)c(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-14-5-6-16-11(8-14)2-1-7-21(16)10-13-4-3-12(9-15(13)19)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
InChIKeyYWGJBRYPUNDFFF-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide (CID 130345433) is 4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide is O=C(NO)c1ccc(CN2CCCc3cc(Cl)ccc32)c(F)c1.
What is the InChIKey of 4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide?
The InChIKey is YWGJBRYPUNDFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-14-5-6-16-11(8-14)2-1-7-21(16)10-13-4-3-12(9-15(13)19)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-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide?
4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-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-3,4-dihydro-2H-quinolin-1-yl)methyl]-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 130345433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).