6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline

C19H22N4 — CID 56870582

IUPAC6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline
SMILESCc1ccc2ncccc2c1-c1nccn1CC1CCN(C)C1
InChIInChI=1S/C19H22N4/c1-14-5-6-17-16(4-3-8-20-17)18(14)19-21-9-11-23(19)13-15-7-10-22(2)12-15/h3-6,8-9,11,15H,7,10,12-13H2,1-2H3
InChIKeyICGXEMYUJVFMQV-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.36
Rot. Bonds3

About 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline

6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline (PubChem CID 56870582) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline
PubChem CID56870582
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline
SMILESCc1ccc2ncccc2c1-c1nccn1CC1CCN(C)C1
InChIInChI=1S/C19H22N4/c1-14-5-6-17-16(4-3-8-20-17)18(14)19-21-9-11-23(19)13-15-7-10-22(2)12-15/h3-6,8-9,11,15H,7,10,12-13H2,1-2H3
InChIKeyICGXEMYUJVFMQV-UHFFFAOYSA-N
XLogP3.36
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline?
The IUPAC name of 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline (CID 56870582) is 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline.
What is the SMILES notation for 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline?
The canonical SMILES for 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline is Cc1ccc2ncccc2c1-c1nccn1CC1CCN(C)C1.
What is the InChIKey of 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline?
The InChIKey is ICGXEMYUJVFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-5-6-17-16(4-3-8-20-17)18(14)19-21-9-11-23(19)13-15-7-10-22(2)12-15/h3-6,8-9,11,15H,7,10,12-13H2,1-2H3.
What are the key properties of 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline?
6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline has a molecular weight of 306.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]quinoline is sourced from PubChem (CID 56870582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).