1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C31H26FN3O3 — CID 71597975

IUPAC1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C31H26FN3O3/c1-38-24-16-10-20(11-17-24)31-26(19-34(33-31)22-6-3-2-4-7-22)25-18-29(37)35(23-14-12-21(32)13-15-23)27-8-5-9-28(36)30(25)27/h2-4,6-7,10-17,19,25H,5,8-9,18H2,1H3
InChIKeyLZGWAHSHLYDGSO-UHFFFAOYSA-N
MW507.57 g/mol
LogP6.21
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 71597975) has the molecular formula C31H26FN3O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID71597975
Molecular FormulaC31H26FN3O3
Molecular Weight507.57 g/mol
Exact Mass507.20
IUPAC Name1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1
InChIInChI=1S/C31H26FN3O3/c1-38-24-16-10-20(11-17-24)31-26(19-34(33-31)22-6-3-2-4-7-22)25-18-29(37)35(23-14-12-21(32)13-15-23)27-8-5-9-28(36)30(25)27/h2-4,6-7,10-17,19,25H,5,8-9,18H2,1H3
InChIKeyLZGWAHSHLYDGSO-UHFFFAOYSA-N
XLogP6.21
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 71597975) is 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is COc1ccc(-c2nn(-c3ccccc3)cc2C2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is LZGWAHSHLYDGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O3/c1-38-24-16-10-20(11-17-24)31-26(19-34(33-31)22-6-3-2-4-7-22)25-18-29(37)35(23-14-12-21(32)13-15-23)27-8-5-9-28(36)30(25)27/h2-4,6-7,10-17,19,25H,5,8-9,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 507.57 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 71597975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).