4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline

C24H24N4 — CID 24806043

IUPAC4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline
SMILESc1ccc2c(C(c3ccc(CN4CCCC4)cc3)n3ccnc3)ccnc2c1
InChIInChI=1S/C24H24N4/c1-2-6-23-21(5-1)22(11-12-26-23)24(28-16-13-25-18-28)20-9-7-19(8-10-20)17-27-14-3-4-15-27/h1-2,5-13,16,18,24H,3-4,14-15,17H2
InChIKeyZCNUCTDIGCHCHL-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.66
Rot. Bonds5

About 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline

4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline (PubChem CID 24806043) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline.

Molecular Properties

Compound Name4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline
PubChem CID24806043
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline
SMILESc1ccc2c(C(c3ccc(CN4CCCC4)cc3)n3ccnc3)ccnc2c1
InChIInChI=1S/C24H24N4/c1-2-6-23-21(5-1)22(11-12-26-23)24(28-16-13-25-18-28)20-9-7-19(8-10-20)17-27-14-3-4-15-27/h1-2,5-13,16,18,24H,3-4,14-15,17H2
InChIKeyZCNUCTDIGCHCHL-UHFFFAOYSA-N
XLogP4.66
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline?
The IUPAC name of 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline (CID 24806043) is 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline.
What is the SMILES notation for 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline?
The canonical SMILES for 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline is c1ccc2c(C(c3ccc(CN4CCCC4)cc3)n3ccnc3)ccnc2c1.
What is the InChIKey of 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline?
The InChIKey is ZCNUCTDIGCHCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-2-6-23-21(5-1)22(11-12-26-23)24(28-16-13-25-18-28)20-9-7-19(8-10-20)17-27-14-3-4-15-27/h1-2,5-13,16,18,24H,3-4,14-15,17H2.
What are the key properties of 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline?
4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline has a molecular weight of 368.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[imidazol-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinoline is sourced from PubChem (CID 24806043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).