6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one

C23H25N3O2 — CID 19854594

IUPAC6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)(CCCc3ccccc3)Cn3ccnc3)ccc2N1
InChIInChI=1S/C23H25N3O2/c27-22-11-8-19-15-20(9-10-21(19)25-22)23(28,16-26-14-13-24-17-26)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-10,13-15,17,28H,4,7-8,11-12,16H2,(H,25,27)
InChIKeyAAUZPDKVBPEVPA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.68
Rot. Bonds7

About 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one

6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854594) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854594
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)(CCCc3ccccc3)Cn3ccnc3)ccc2N1
InChIInChI=1S/C23H25N3O2/c27-22-11-8-19-15-20(9-10-21(19)25-22)23(28,16-26-14-13-24-17-26)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-10,13-15,17,28H,4,7-8,11-12,16H2,(H,25,27)
InChIKeyAAUZPDKVBPEVPA-UHFFFAOYSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 19854594) is 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)(CCCc3ccccc3)Cn3ccnc3)ccc2N1.
What is the InChIKey of 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AAUZPDKVBPEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-11-8-19-15-20(9-10-21(19)25-22)23(28,16-26-14-13-24-17-26)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-10,13-15,17,28H,4,7-8,11-12,16H2,(H,25,27).
What are the key properties of 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-1-imidazol-1-yl-5-phenylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).