3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one

C31H25N3O2 — CID 139227278

IUPAC3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(-c4ccccc4)c4ccccc4[nH]c3=O)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25N3O2/c1-36-24-18-16-21(17-19-24)28-20-27(33-34(28)23-12-6-3-7-13-23)30-29(22-10-4-2-5-11-22)25-14-8-9-15-26(25)32-31(30)35/h2-19,28H,20H2,1H3,(H,32,35)
InChIKeyIIYYHAYUNMZWQD-UHFFFAOYSA-N
MW471.56 g/mol
LogP6.56
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one

3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one (PubChem CID 139227278) has the molecular formula C31H25N3O2 and a molecular weight of 471.56 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
PubChem CID139227278
Molecular FormulaC31H25N3O2
Molecular Weight471.56 g/mol
Exact Mass471.19
IUPAC Name3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(c3c(-c4ccccc4)c4ccccc4[nH]c3=O)=NN2c2ccccc2)cc1
InChIInChI=1S/C31H25N3O2/c1-36-24-18-16-21(17-19-24)28-20-27(33-34(28)23-12-6-3-7-13-23)30-29(22-10-4-2-5-11-22)25-14-8-9-15-26(25)32-31(30)35/h2-19,28H,20H2,1H3,(H,32,35)
InChIKeyIIYYHAYUNMZWQD-UHFFFAOYSA-N
XLogP6.56
TPSA57.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one (CID 139227278) is 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one is COc1ccc(C2CC(c3c(-c4ccccc4)c4ccccc4[nH]c3=O)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is IIYYHAYUNMZWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O2/c1-36-24-18-16-21(17-19-24)28-20-27(33-34(28)23-12-6-3-7-13-23)30-29(22-10-4-2-5-11-22)25-14-8-9-15-26(25)32-31(30)35/h2-19,28H,20H2,1H3,(H,32,35).
What are the key properties of 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one?
3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 471.56 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 139227278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).