2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C25H24Cl2N4 — CID 67775478

IUPAC2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1cccc2ccc(-c3ccc(-n4cnc(Cl)c4Cl)cc3)nc12
InChIInChI=1S/C25H24Cl2N4/c1-17-4-3-14-30(17)15-13-20-6-2-5-19-9-12-22(29-23(19)20)18-7-10-21(11-8-18)31-16-28-24(26)25(31)27/h2,5-12,16-17H,3-4,13-15H2,1H3/t17-/m1/s1
InChIKeyZUROBYXLIWXEIV-QGZVFWFLSA-N
MW451.40 g/mol
LogP6.42
Rot. Bonds5

About 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 67775478) has the molecular formula C25H24Cl2N4 and a molecular weight of 451.40 g/mol. Its IUPAC name is 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID67775478
Molecular FormulaC25H24Cl2N4
Molecular Weight451.40 g/mol
Exact Mass450.14
IUPAC Name2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESC[C@@H]1CCCN1CCc1cccc2ccc(-c3ccc(-n4cnc(Cl)c4Cl)cc3)nc12
InChIInChI=1S/C25H24Cl2N4/c1-17-4-3-14-30(17)15-13-20-6-2-5-19-9-12-22(29-23(19)20)18-7-10-21(11-8-18)31-16-28-24(26)25(31)27/h2,5-12,16-17H,3-4,13-15H2,1H3/t17-/m1/s1
InChIKeyZUROBYXLIWXEIV-QGZVFWFLSA-N
XLogP6.42
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline with MolForge

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Related Compounds

5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
CID 67774789
4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine
CID 67772653
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530
8-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-3H-benzimidazol-5-yl]quinoline
CID 11382727
2-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
CID 11618861
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
2-[2-(2-methylpyrrolidin-1-yl)ethyl]-6-pyrimidin-5-ylquinoline
CID 67104660
7-(3-chloro-4-pyridinyl)-3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]isoquinoline
CID 25196516
7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
CID 10403546
1-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-7-yl]imidazole
CID 22274535
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
CID 52917809

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 67775478) is 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is C[C@@H]1CCCN1CCc1cccc2ccc(-c3ccc(-n4cnc(Cl)c4Cl)cc3)nc12.
What is the InChIKey of 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is ZUROBYXLIWXEIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24Cl2N4/c1-17-4-3-14-30(17)15-13-20-6-2-5-19-9-12-22(29-23(19)20)18-7-10-21(11-8-18)31-16-28-24(26)25(31)27/h2,5-12,16-17H,3-4,13-15H2,1H3/t17-/m1/s1.
What are the key properties of 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 451.40 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dichloroimidazol-1-yl)phenyl]-8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 67775478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).