N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide

C21H24N4O2 — CID 154800108

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2n1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C21H24N4O2/c26-20-12-15(13-25-10-9-22-14-25)11-19(20)24-21(27)8-7-17-6-5-16-3-1-2-4-18(16)23-17/h1-6,9-10,14-15,19-20,26H,7-8,11-13H2,(H,24,27)/t15?,19-,20-/m1/s1
InChIKeyMMHNNNDIZPKMIP-YUZWYKEKSA-N
MW364.45 g/mol
LogP2.32
Rot. Bonds6

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide (PubChem CID 154800108) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide
PubChem CID154800108
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide
SMILESO=C(CCc1ccc2ccccc2n1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C21H24N4O2/c26-20-12-15(13-25-10-9-22-14-25)11-19(20)24-21(27)8-7-17-6-5-16-3-1-2-4-18(16)23-17/h1-6,9-10,14-15,19-20,26H,7-8,11-13H2,(H,24,27)/t15?,19-,20-/m1/s1
InChIKeyMMHNNNDIZPKMIP-YUZWYKEKSA-N
XLogP2.32
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-{1-[(2S)-tetrahydrofuran-2-ylmethyl]-1H-imidazol-2-yl}quinolin-6-yl)acetamide
CID 70713785
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-[5-[(E)-quinolin-3-ylmethylideneamino]oxypentyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
CID 134137159
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-[4-[(E)-quinolin-3-ylmethylideneamino]oxybutyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
CID 134141911
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-[6-[(E)-quinolin-3-ylmethylideneamino]oxyhexyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
CID 134155016
4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(quinolin-4-ylmethyl)piperidine-1-carboxamide
CID 124594620
2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
CID 47788928
2-(2,4-dimethylquinolin-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
CID 56214829
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]acetamide
CID 146110171
2-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyrimidin-5-ylbenzamide
CID 146110287
3-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-pyridin-4-ylbenzamide
CID 146110344
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 146110411
5-fluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1H-indole-7-carboxamide
CID 146110524

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide (CID 154800108) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide is O=C(CCc1ccc2ccccc2n1)N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide?
The InChIKey is MMHNNNDIZPKMIP-YUZWYKEKSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20-12-15(13-25-10-9-22-14-25)11-19(20)24-21(27)8-7-17-6-5-16-3-1-2-4-18(16)23-17/h1-6,9-10,14-15,19-20,26H,7-8,11-13H2,(H,24,27)/t15?,19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-quinolin-2-ylpropanamide is sourced from PubChem (CID 154800108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).