[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid

C25H26FN3O5 — CID 155694793

IUPAC[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
SMILESCc1cc(F)ccc1-c1ccnc2cc(O[C@H](C)C(=O)N3CCC[C@H](N(O)C(=O)O)C3)ccc12
InChIInChI=1S/C25H26FN3O5/c1-15-12-17(26)5-7-20(15)21-9-10-27-23-13-19(6-8-22(21)23)34-16(2)24(30)28-11-3-4-18(14-28)29(33)25(31)32/h5-10,12-13,16,18,33H,3-4,11,14H2,1-2H3,(H,31,32)/t16-,18+/m1/s1
InChIKeyWYJZAHTWVHKLLU-AEFFLSMTSA-N
MW467.50 g/mol
LogP4.48
Rot. Bonds5

About [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid

[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid (PubChem CID 155694793) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid.

Molecular Properties

Compound Name[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
PubChem CID155694793
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid
SMILESCc1cc(F)ccc1-c1ccnc2cc(O[C@H](C)C(=O)N3CCC[C@H](N(O)C(=O)O)C3)ccc12
InChIInChI=1S/C25H26FN3O5/c1-15-12-17(26)5-7-20(15)21-9-10-27-23-13-19(6-8-22(21)23)34-16(2)24(30)28-11-3-4-18(14-28)29(33)25(31)32/h5-10,12-13,16,18,33H,3-4,11,14H2,1-2H3,(H,31,32)/t16-,18+/m1/s1
InChIKeyWYJZAHTWVHKLLU-AEFFLSMTSA-N
XLogP4.48
TPSA103.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid with MolForge

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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
N-[(3S)-1-[(2S)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-2-hydroxyacetyl]piperidin-3-yl]-N-hydroxyacetamide
CID 164782110
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770
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-(3,5-dimethylpiperazin-1-yl)propan-1-one
CID 155127807
(2R)-2-[4-(4-fluoro-2,6-dimethylphenyl)quinolin-7-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 155127647
2-[(3R)-1-[(2R)-2-[4-[2-(dimethylamino)phenyl]quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 155127467
(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
1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid
CID 155127729
2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 155127340
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 [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid?
The IUPAC name of [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid (CID 155694793) is [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid.
What is the SMILES notation for [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid?
The canonical SMILES for [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid is Cc1cc(F)ccc1-c1ccnc2cc(O[C@H](C)C(=O)N3CCC[C@H](N(O)C(=O)O)C3)ccc12.
What is the InChIKey of [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid?
The InChIKey is WYJZAHTWVHKLLU-AEFFLSMTSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-15-12-17(26)5-7-20(15)21-9-10-27-23-13-19(6-8-22(21)23)34-16(2)24(30)28-11-3-4-18(14-28)29(33)25(31)32/h5-10,12-13,16,18,33H,3-4,11,14H2,1-2H3,(H,31,32)/t16-,18+/m1/s1.
What are the key properties of [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid?
[(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid has a molecular weight of 467.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2R)-2-[4-(4-fluoro-2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-hydroxycarbamic acid is sourced from PubChem (CID 155694793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).