6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline

C19H20N6O — CID 95561163

IUPAC6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline
SMILESCCOc1ccc2nc(-c3nccn3[C@@H](C)Cn3cncn3)ccc2c1
InChIInChI=1S/C19H20N6O/c1-3-26-16-5-7-17-15(10-16)4-6-18(23-17)19-21-8-9-25(19)14(2)11-24-13-20-12-22-24/h4-10,12-14H,3,11H2,1-2H3/t14-/m0/s1
InChIKeyFFHFPTDSSFOQEZ-AWEZNQCLSA-N
MW348.41 g/mol
LogP3.35
Rot. Bonds6

About 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline

6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline (PubChem CID 95561163) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline
PubChem CID95561163
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline
SMILESCCOc1ccc2nc(-c3nccn3[C@@H](C)Cn3cncn3)ccc2c1
InChIInChI=1S/C19H20N6O/c1-3-26-16-5-7-17-15(10-16)4-6-18(23-17)19-21-8-9-25(19)14(2)11-24-13-20-12-22-24/h4-10,12-14H,3,11H2,1-2H3/t14-/m0/s1
InChIKeyFFHFPTDSSFOQEZ-AWEZNQCLSA-N
XLogP3.35
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline?
The IUPAC name of 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline (CID 95561163) is 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline.
What is the SMILES notation for 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline?
The canonical SMILES for 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline is CCOc1ccc2nc(-c3nccn3[C@@H](C)Cn3cncn3)ccc2c1.
What is the InChIKey of 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline?
The InChIKey is FFHFPTDSSFOQEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6O/c1-3-26-16-5-7-17-15(10-16)4-6-18(23-17)19-21-8-9-25(19)14(2)11-24-13-20-12-22-24/h4-10,12-14H,3,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline?
6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline has a molecular weight of 348.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[1-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]imidazol-2-yl]quinoline is sourced from PubChem (CID 95561163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).