3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline

C18H20N4 — CID 95828196

IUPAC3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
SMILESc1ccc2ncc(C[C@H]3CCN(Cc4ncc[nH]4)C3)cc2c1
InChIInChI=1S/C18H20N4/c1-2-4-17-16(3-1)10-15(11-21-17)9-14-5-8-22(12-14)13-18-19-6-7-20-18/h1-4,6-7,10-11,14H,5,8-9,12-13H2,(H,19,20)/t14-/m1/s1
InChIKeyWTUODQKXDKFKBR-CQSZACIVSA-N
MW292.39 g/mol
LogP3.02
Rot. Bonds4

About 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline

3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline (PubChem CID 95828196) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
PubChem CID95828196
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
SMILESc1ccc2ncc(C[C@H]3CCN(Cc4ncc[nH]4)C3)cc2c1
InChIInChI=1S/C18H20N4/c1-2-4-17-16(3-1)10-15(11-21-17)9-14-5-8-22(12-14)13-18-19-6-7-20-18/h1-4,6-7,10-11,14H,5,8-9,12-13H2,(H,19,20)/t14-/m1/s1
InChIKeyWTUODQKXDKFKBR-CQSZACIVSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 95828246
3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 110258647
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95708664
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
1-[(6S)-4-(1H-imidazol-2-ylmethyl)-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 124959850
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]pyridine
CID 95816983
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
CID 53407804
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 125026089

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
The IUPAC name of 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline (CID 95828196) is 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline.
What is the SMILES notation for 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
The canonical SMILES for 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline is c1ccc2ncc(C[C@H]3CCN(Cc4ncc[nH]4)C3)cc2c1.
What is the InChIKey of 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
The InChIKey is WTUODQKXDKFKBR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-4-17-16(3-1)10-15(11-21-17)9-14-5-8-22(12-14)13-18-19-6-7-20-18/h1-4,6-7,10-11,14H,5,8-9,12-13H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline?
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline has a molecular weight of 292.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline is sourced from PubChem (CID 95828196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).