2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline

C19H22N4 — CID 95209596

IUPAC2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline
SMILESCN1CCC[C@H]1CCn1ccnc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H22N4/c1-22-12-4-6-16(22)10-13-23-14-11-20-19(23)18-9-8-15-5-2-3-7-17(15)21-18/h2-3,5,7-9,11,14,16H,4,6,10,12-13H2,1H3/t16-/m0/s1
InChIKeyQTIRAZSMNOZXJC-INIZCTEOSA-N
MW306.41 g/mol
LogP3.58
Rot. Bonds4

About 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline

2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline (PubChem CID 95209596) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline
PubChem CID95209596
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline
SMILESCN1CCC[C@H]1CCn1ccnc1-c1ccc2ccccc2n1
InChIInChI=1S/C19H22N4/c1-22-12-4-6-16(22)10-13-23-14-11-20-19(23)18-9-8-15-5-2-3-7-17(15)21-18/h2-3,5,7-9,11,14,16H,4,6,10,12-13H2,1H3/t16-/m0/s1
InChIKeyQTIRAZSMNOZXJC-INIZCTEOSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
CID 95222460
2-[1-(2-piperidin-1-ylethyl)imidazol-2-yl]quinoline
CID 56753865
4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
CID 95206808
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]quinolin-2-amine
CID 106027080
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 141285669
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline?
The IUPAC name of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline (CID 95209596) is 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline.
What is the SMILES notation for 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline?
The canonical SMILES for 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline is CN1CCC[C@H]1CCn1ccnc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline?
The InChIKey is QTIRAZSMNOZXJC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4/c1-22-12-4-6-16(22)10-13-23-14-11-20-19(23)18-9-8-15-5-2-3-7-17(15)21-18/h2-3,5,7-9,11,14,16H,4,6,10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline?
2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline has a molecular weight of 306.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline is sourced from PubChem (CID 95209596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).