8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline

C23H21N3 — CID 22083734

IUPAC8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(/C=C/c3cnc[nH]3)c2)c2ncccc2c1
InChIInChI=1S/C23H21N3/c1-16(2)20-12-19-7-4-10-25-23(19)22(13-20)18-6-3-5-17(11-18)8-9-21-14-24-15-26-21/h3-16H,1-2H3,(H,24,26)/b9-8+
InChIKeyMJUIMWWZVWLBEX-CMDGGOBGSA-N
MW339.44 g/mol
LogP5.92
Rot. Bonds4

About 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline

8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline (PubChem CID 22083734) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline.

Molecular Properties

Compound Name8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
PubChem CID22083734
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
SMILESCC(C)c1cc(-c2cccc(/C=C/c3cnc[nH]3)c2)c2ncccc2c1
InChIInChI=1S/C23H21N3/c1-16(2)20-12-19-7-4-10-25-23(19)22(13-20)18-6-3-5-17(11-18)8-9-21-14-24-15-26-21/h3-16H,1-2H3,(H,24,26)/b9-8+
InChIKeyMJUIMWWZVWLBEX-CMDGGOBGSA-N
XLogP5.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 22083707
8-phenyl-6-propan-2-ylquinoline
CID 15295265
methyl 3-(6-propan-2-ylquinolin-8-yl)benzoate
CID 23202313
8-(3-nitrophenyl)-6-propan-2-ylquinoline;hydrochloride
CID 19381182
8-[3-[(Z)-2-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 10118879
(E)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-2-pyridin-4-yl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 22083654
8-[3-(phenylsulfanylmethyl)phenyl]-6-propan-2-ylquinoline
CID 10215723
2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine
CID 67565105
4-[[3-(6-propan-2-ylquinolin-8-yl)phenoxy]methyl]aniline
CID 142806094
8-[4-fluoro-3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-propan-2-ylquinoline
CID 22350091
2-methyl-4-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylbutan-2-ol
CID 20814950
3-[3-[3-[6-(1-methylsulfonylpropyl)quinolin-8-yl]phenyl]phenyl]prop-2-enoic acid
CID 90993712

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
The IUPAC name of 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline (CID 22083734) is 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline.
What is the SMILES notation for 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
The canonical SMILES for 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline is CC(C)c1cc(-c2cccc(/C=C/c3cnc[nH]3)c2)c2ncccc2c1.
What is the InChIKey of 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
The InChIKey is MJUIMWWZVWLBEX-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H21N3/c1-16(2)20-12-19-7-4-10-25-23(19)22(13-20)18-6-3-5-17(11-18)8-9-21-14-24-15-26-21/h3-16H,1-2H3,(H,24,26)/b9-8+.
What are the key properties of 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline?
8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline has a molecular weight of 339.44 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]phenyl]-6-propan-2-ylquinoline is sourced from PubChem (CID 22083734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).