N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide

C24H23ClFN3O5 — CID 164782110

IUPACN-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)[C@H]1CCCN(C(=O)[C@@H](O)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)C1
InChIInChI=1S/C24H23ClFN3O5/c1-14(30)29(33)16-3-2-10-28(13-16)23(31)24(32)34-17-5-7-20-18(8-9-27-22(20)12-17)19-6-4-15(26)11-21(19)25/h4-9,11-12,16,24,32-33H,2-3,10,13H2,1H3/t16-,24-/m0/s1
InChIKeyLKKJMONECRCBNR-FYSMJZIKSA-N
MW487.92 g/mol
LogP3.62
Rot. Bonds5

About N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide

N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide (PubChem CID 164782110) has the molecular formula C24H23ClFN3O5 and a molecular weight of 487.92 g/mol. Its IUPAC name is N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide
PubChem CID164782110
Molecular FormulaC24H23ClFN3O5
Molecular Weight487.92 g/mol
Exact Mass487.13
IUPAC NameN-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)[C@H]1CCCN(C(=O)[C@@H](O)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)C1
InChIInChI=1S/C24H23ClFN3O5/c1-14(30)29(33)16-3-2-10-28(13-16)23(31)24(32)34-17-5-7-20-18(8-9-27-22(20)12-17)19-6-4-15(26)11-21(19)25/h4-9,11-12,16,24,32-33H,2-3,10,13H2,1H3/t16-,24-/m0/s1
InChIKeyLKKJMONECRCBNR-FYSMJZIKSA-N
XLogP3.62
TPSA103.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide 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

[(3S)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 164782115
[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
CID 155694793
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(3,5-dimethylpiperazin-1-yl)propan-1-one
CID 155127807
ethyl 2-[(3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]pyrrolidin-3-yl]acetate
CID 155141286
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 155127340
(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(2-oxa-8-azaspiro[3.5]nonan-8-yl)propan-1-one
CID 155127567
(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-N-methyl-N-propan-2-ylpropanamide
CID 155127486
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 155127499
(3R)-1-[2-[4-(2-chloro-4-fluorophenyl)-2-methylquinolin-7-yl]oxypropanoyl]piperidine-3-sulfonamide
CID 155127742
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 155694760

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide?
The IUPAC name of N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide (CID 164782110) is N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide.
What is the SMILES notation for N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide?
The canonical SMILES for N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide is CC(=O)N(O)[C@H]1CCCN(C(=O)[C@@H](O)Oc2ccc3c(-c4ccc(F)cc4Cl)ccnc3c2)C1.
What is the InChIKey of N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide?
The InChIKey is LKKJMONECRCBNR-FYSMJZIKSA-N. The full InChI is InChI=1S/C24H23ClFN3O5/c1-14(30)29(33)16-3-2-10-28(13-16)23(31)24(32)34-17-5-7-20-18(8-9-27-22(20)12-17)19-6-4-15(26)11-21(19)25/h4-9,11-12,16,24,32-33H,2-3,10,13H2,1H3/t16-,24-/m0/s1.
What are the key properties of N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide?
N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide has a molecular weight of 487.92 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide is sourced from PubChem (CID 164782110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).