6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol

C24H20N2O — CID 155422779

IUPAC6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol
SMILESC=C(NCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C24H20N2O/c1-17(26-16-18-7-3-2-4-8-18)19-9-5-10-20(13-19)22-14-21-11-6-12-25-24(21)23(27)15-22/h2-15,26-27H,1,16H2
InChIKeyVWOCNPDBNVLGPJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.37
Rot. Bonds5

About 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol

6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol (PubChem CID 155422779) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol.

Molecular Properties

Compound Name6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol
PubChem CID155422779
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol
SMILESC=C(NCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C24H20N2O/c1-17(26-16-18-7-3-2-4-8-18)19-9-5-10-20(13-19)22-14-21-11-6-12-25-24(21)23(27)15-22/h2-15,26-27H,1,16H2
InChIKeyVWOCNPDBNVLGPJ-UHFFFAOYSA-N
XLogP5.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol?
The IUPAC name of 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol (CID 155422779) is 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol.
What is the SMILES notation for 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol?
The canonical SMILES for 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol is C=C(NCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1.
What is the InChIKey of 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol?
The InChIKey is VWOCNPDBNVLGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17(26-16-18-7-3-2-4-8-18)19-9-5-10-20(13-19)22-14-21-11-6-12-25-24(21)23(27)15-22/h2-15,26-27H,1,16H2.
What are the key properties of 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol?
6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol has a molecular weight of 352.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(benzylamino)ethenyl]phenyl]quinolin-8-ol is sourced from PubChem (CID 155422779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).