6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline

C19H22N4O — CID 167921637

IUPAC6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(Cc2cc(C)c3ncccc3c2)C1
InChIInChI=1S/C19H22N4O/c1-13-8-14(9-15-4-3-5-20-18(13)15)11-23-12-16(24-2)10-17(23)19-21-6-7-22-19/h3-9,16-17H,10-12H2,1-2H3,(H,21,22)/t16-,17?/m1/s1
InChIKeyQBJLHGOTGBZBOL-TZHYSIJRSA-N
MW322.41 g/mol
LogP3.23
Rot. Bonds4

About 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline

6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline (PubChem CID 167921637) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline.

Molecular Properties

Compound Name6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
PubChem CID167921637
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(Cc2cc(C)c3ncccc3c2)C1
InChIInChI=1S/C19H22N4O/c1-13-8-14(9-15-4-3-5-20-18(13)15)11-23-12-16(24-2)10-17(23)19-21-6-7-22-19/h3-9,16-17H,10-12H2,1-2H3,(H,21,22)/t16-,17?/m1/s1
InChIKeyQBJLHGOTGBZBOL-TZHYSIJRSA-N
XLogP3.23
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 154765192
2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
CID 154765204
5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole
CID 154870278
3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 167827199
5-chloro-2-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]benzonitrile
CID 154765197
6-methyl-1-[(8-methylquinolin-6-yl)methyl]piperidine-3-carboxylic acid
CID 122124527
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
2-[(2S,4R)-1-(1H-imidazol-5-ylmethyl)-4-methoxypyrrolidin-2-yl]-4,5-dimethyl-1H-imidazole
CID 154798232
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
1-[4-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-2-methylphenyl]-1,2,4-triazole
CID 128979667
5-[(2S,4R)-4-methoxy-1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]-1H-1,2,4-triazole
CID 128979976
1H-imidazo[4,5-b]pyridin-5-yl-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765161

Frequently Asked Questions

What is the IUPAC name of 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline?
The IUPAC name of 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline (CID 167921637) is 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline.
What is the SMILES notation for 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline?
The canonical SMILES for 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline is CO[C@@H]1CC(c2ncc[nH]2)N(Cc2cc(C)c3ncccc3c2)C1.
What is the InChIKey of 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline?
The InChIKey is QBJLHGOTGBZBOL-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-8-14(9-15-4-3-5-20-18(13)15)11-23-12-16(24-2)10-17(23)19-21-6-7-22-19/h3-9,16-17H,10-12H2,1-2H3,(H,21,22)/t16-,17?/m1/s1.
What are the key properties of 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline?
6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline has a molecular weight of 322.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline is sourced from PubChem (CID 167921637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).