cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide

C22H21FN2O2 — CID 86272266

IUPACcis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](c2ccc3ncccc3c2)C1
InChIInChI=1S/C22H21FN2O2/c1-14-18(5-2-6-19(14)23)22(21(26)25-27)10-9-17(13-22)15-7-8-20-16(12-15)4-3-11-24-20/h2-8,11-12,17,27H,9-10,13H2,1H3,(H,25,26)/t17-,22-/m0/s1
InChIKeyTXRARWVMRQAKLP-JTSKRJEESA-N
MW364.42 g/mol
LogP4.39
Rot. Bonds3

About cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide

cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide (PubChem CID 86272266) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide
PubChem CID86272266
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Namecis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide
SMILESCc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](c2ccc3ncccc3c2)C1
InChIInChI=1S/C22H21FN2O2/c1-14-18(5-2-6-19(14)23)22(21(26)25-27)10-9-17(13-22)15-7-8-20-16(12-15)4-3-11-24-20/h2-8,11-12,17,27H,9-10,13H2,1H3,(H,25,26)/t17-,22-/m0/s1
InChIKeyTXRARWVMRQAKLP-JTSKRJEESA-N
XLogP4.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.39
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 cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide (CID 86272266) is cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide is Cc1c(F)cccc1[C@]1(C(=O)NO)CC[C@H](c2ccc3ncccc3c2)C1.
What is the InChIKey of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
The InChIKey is TXRARWVMRQAKLP-JTSKRJEESA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-18(5-2-6-19(14)23)22(21(26)25-27)10-9-17(13-22)15-7-8-20-16(12-15)4-3-11-24-20/h2-8,11-12,17,27H,9-10,13H2,1H3,(H,25,26)/t17-,22-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 86272266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).