6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one

C22H16BrN3O2 — CID 136918184

IUPAC6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccco2)C1
InChIInChI=1S/C22H16BrN3O2/c23-14-8-9-16-15(11-14)20(13-5-2-1-3-6-13)21(22(27)24-16)18-12-17(25-26-18)19-7-4-10-28-19/h1-11,17,25H,12H2,(H,24,27)/t17-/m0/s1
InChIKeyOFWJFOULSJGYJF-KRWDZBQOSA-N
MW434.29 g/mol
LogP4.99
Rot. Bonds3

About 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one

6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 136918184) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID136918184
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC Name6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccco2)C1
InChIInChI=1S/C22H16BrN3O2/c23-14-8-9-16-15(11-14)20(13-5-2-1-3-6-13)21(22(27)24-16)18-12-17(25-26-18)19-7-4-10-28-19/h1-11,17,25H,12H2,(H,24,27)/t17-/m0/s1
InChIKeyOFWJFOULSJGYJF-KRWDZBQOSA-N
XLogP4.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one (CID 136918184) is 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccco2)C1.
What is the InChIKey of 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is OFWJFOULSJGYJF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c23-14-8-9-16-15(11-14)20(13-5-2-1-3-6-13)21(22(27)24-16)18-12-17(25-26-18)19-7-4-10-28-19/h1-11,17,25H,12H2,(H,24,27)/t17-/m0/s1.
What are the key properties of 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one?
6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 434.29 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(5S)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-3-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 136918184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).