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

C22H21FN2O2 — CID 86272267

IUPACtrans-(1S,3R)-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+/m1/s1
InChIKeyTXRARWVMRQAKLP-VGSWGCGISA-N
MW364.42 g/mol
LogP4.39
Rot. Bonds3

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

trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide (PubChem CID 86272267) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide
PubChem CID86272267
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Nametrans-(1S,3R)-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+/m1/s1
InChIKeyTXRARWVMRQAKLP-VGSWGCGISA-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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Related Compounds

3-amino-2-(4-fluorophenyl)-N-isoquinolin-6-ylpropanamide
CID 46184600
3-amino-2-(2-fluorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031817
3-amino-2-(3-fluorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031818
5-(4-fluorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pentanamide
CID 18436119
N-(4-tert-butylphenyl)-2-(quinolin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24958482
3-amino-N-isoquinolin-6-yl-2-(3-methylphenyl)propanamide
CID 91806730
N-hydroxy-4-(quinolin-8-ylmethylamino)benzamide
CID 132145237
N-hydroxy-4-(2-quinolin-8-ylethyl)benzamide
CID 132145724
4-(3-fluoro-4-quinolin-6-ylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851066
N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 1257011
N-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261423
trans-(1S,2S)-2-N-hydroxy-1-N-[4-(2-quinolin-6-ylethynyl)phenyl]cyclohexane-1,2-dicarboxamide
CID 44356686

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide (CID 86272267) is trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-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 trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
The InChIKey is TXRARWVMRQAKLP-VGSWGCGISA-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+/m1/s1.
What are the key properties of trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide?
trans-(1S,3R)-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 trans-(1S,3R)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-3-quinolin-6-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 86272267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).