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

C19H22N4 — CID 95828246

IUPAC3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
SMILESCn1ccnc1CN1CC[C@H](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/t15-/m1/s1
InChIKeyBZTWMVPVOKDBMO-OAHLLOKOSA-N
MW306.41 g/mol
LogP3.03
Rot. Bonds4

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

3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline (PubChem CID 95828246) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
PubChem CID95828246
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline
SMILESCn1ccnc1CN1CC[C@H](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/t15-/m1/s1
InChIKeyBZTWMVPVOKDBMO-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The IUPAC name of 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline (CID 95828246) is 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline.
What is the SMILES notation for 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The canonical SMILES for 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline is Cn1ccnc1CN1CC[C@H](Cc2cnc3ccccc3c2)C1.
What is the InChIKey of 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
The InChIKey is BZTWMVPVOKDBMO-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of 3-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline?
3-[[(3S)-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-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]quinoline is sourced from PubChem (CID 95828246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).