2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride

C19H17Cl2N3 — CID 141258750

IUPAC2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride
SMILESCc1nccn1-c1ccccc1-c1ccc2ccccc2n1.Cl.Cl
InChIInChI=1S/C19H15N3.2ClH/c1-14-20-12-13-22(14)19-9-5-3-7-16(19)18-11-10-15-6-2-4-8-17(15)21-18;;/h2-13H,1H3;2*1H
InChIKeyMJKSGSQKEPEONI-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.24
Rot. Bonds2

About 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride

2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride (PubChem CID 141258750) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride
PubChem CID141258750
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride
SMILESCc1nccn1-c1ccccc1-c1ccc2ccccc2n1.Cl.Cl
InChIInChI=1S/C19H15N3.2ClH/c1-14-20-12-13-22(14)19-9-5-3-7-16(19)18-11-10-15-6-2-4-8-17(15)21-18;;/h2-13H,1H3;2*1H
InChIKeyMJKSGSQKEPEONI-UHFFFAOYSA-N
XLogP5.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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9-methyl-1-quinolin-2-ylcarbazole
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2-(furan-3-yl)-6-(2-methylimidazol-1-yl)quinoline;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride?
The IUPAC name of 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride (CID 141258750) is 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride.
What is the SMILES notation for 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride?
The canonical SMILES for 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride is Cc1nccn1-c1ccccc1-c1ccc2ccccc2n1.Cl.Cl.
What is the InChIKey of 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride?
The InChIKey is MJKSGSQKEPEONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3.2ClH/c1-14-20-12-13-22(14)19-9-5-3-7-16(19)18-11-10-15-6-2-4-8-17(15)21-18;;/h2-13H,1H3;2*1H.
What are the key properties of 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride?
2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride is sourced from PubChem (CID 141258750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).