6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one

C20H19N3O — CID 14373275

IUPAC6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cn3ccnc3)c3ccccc3)ccc2N1
InChIInChI=1S/C20H19N3O/c24-20-9-7-17-12-16(6-8-19(17)22-20)18(13-23-11-10-21-14-23)15-4-2-1-3-5-15/h1-6,8,10-12,14,18H,7,9,13H2,(H,22,24)
InChIKeyLXMPMOWFGKFLKS-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.60
Rot. Bonds4

About 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one

6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 14373275) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID14373275
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cn3ccnc3)c3ccccc3)ccc2N1
InChIInChI=1S/C20H19N3O/c24-20-9-7-17-12-16(6-8-19(17)22-20)18(13-23-11-10-21-14-23)15-4-2-1-3-5-15/h1-6,8,10-12,14,18H,7,9,13H2,(H,22,24)
InChIKeyLXMPMOWFGKFLKS-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one (CID 14373275) is 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Cn3ccnc3)c3ccccc3)ccc2N1.
What is the InChIKey of 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LXMPMOWFGKFLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20-9-7-17-12-16(6-8-19(17)22-20)18(13-23-11-10-21-14-23)15-4-2-1-3-5-15/h1-6,8,10-12,14,18H,7,9,13H2,(H,22,24).
What are the key properties of 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 317.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-yl-1-phenylethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 14373275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).