3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline

C19H22N4 — CID 110258647

IUPAC3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
SMILESCn1ccnc1CN1CCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C19H22N4/c1-22-9-7-20-19(22)14-23-8-6-15(13-23)10-16-11-17-4-2-3-5-18(17)21-12-16/h2-5,7,9,11-12,15H,6,8,10,13-14H2,1H3
InChIKeyBZTWMVPVOKDBMO-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.03
Rot. Bonds4

About 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline

3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline (PubChem CID 110258647) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
PubChem CID110258647
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
SMILESCn1ccnc1CN1CCC(Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C19H22N4/c1-22-9-7-20-19(22)14-23-8-6-15(13-23)10-16-11-17-4-2-3-5-18(17)21-12-16/h2-5,7,9,11-12,15H,6,8,10,13-14H2,1H3
InChIKeyBZTWMVPVOKDBMO-UHFFFAOYSA-N
XLogP3.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
CID 95828246
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 95828196
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
CID 133124608
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
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
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The IUPAC name of 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline (CID 110258647) is 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline.
What is the SMILES notation for 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The canonical SMILES for 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline is Cn1ccnc1CN1CCC(Cc2cnc3ccccc3c2)C1.
What is the InChIKey of 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The InChIKey is BZTWMVPVOKDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-22-9-7-20-19(22)14-23-8-6-15(13-23)10-16-11-17-4-2-3-5-18(17)21-12-16/h2-5,7,9,11-12,15H,6,8,10,13-14H2,1H3.
What are the key properties of 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline has a molecular weight of 306.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline is sourced from PubChem (CID 110258647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).