4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol

C21H19N3O — CID 135886405

IUPAC4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol
SMILESCCC(c1ccc(-c2ccc(O)cc2)c2cccnc12)n1ccnc1
InChIInChI=1S/C21H19N3O/c1-2-20(24-13-12-22-14-24)19-10-9-17(15-5-7-16(25)8-6-15)18-4-3-11-23-21(18)19/h3-14,20,25H,2H2,1H3
InChIKeyBKTARSLGAIZXMI-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.80
Rot. Bonds4

About 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol

4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol (PubChem CID 135886405) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol.

Molecular Properties

Compound Name4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol
PubChem CID135886405
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol
SMILESCCC(c1ccc(-c2ccc(O)cc2)c2cccnc12)n1ccnc1
InChIInChI=1S/C21H19N3O/c1-2-20(24-13-12-22-14-24)19-10-9-17(15-5-7-16(25)8-6-15)18-4-3-11-23-21(18)19/h3-14,20,25H,2H2,1H3
InChIKeyBKTARSLGAIZXMI-UHFFFAOYSA-N
XLogP4.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol?
The IUPAC name of 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol (CID 135886405) is 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol.
What is the SMILES notation for 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol?
The canonical SMILES for 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol is CCC(c1ccc(-c2ccc(O)cc2)c2cccnc12)n1ccnc1.
What is the InChIKey of 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol?
The InChIKey is BKTARSLGAIZXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-20(24-13-12-22-14-24)19-10-9-17(15-5-7-16(25)8-6-15)18-4-3-11-23-21(18)19/h3-14,20,25H,2H2,1H3.
What are the key properties of 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol?
4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol has a molecular weight of 329.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1-imidazol-1-ylpropyl)quinolin-5-yl]phenol is sourced from PubChem (CID 135886405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).