[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C32H24ClN3O — CID 3102931

IUPAC[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C32H24ClN3O/c1-21-30(31(23-13-7-3-8-14-23)26-19-25(33)17-18-27(26)34-21)28-20-29(22-11-5-2-6-12-22)36(35-28)32(37)24-15-9-4-10-16-24/h2-19,29H,20H2,1H3
InChIKeySSYJWWPMGAHHFB-UHFFFAOYSA-N
MW502.02 g/mol
LogP7.86
Rot. Bonds4

About [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 3102931) has the molecular formula C32H24ClN3O and a molecular weight of 502.02 g/mol. Its IUPAC name is [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID3102931
Molecular FormulaC32H24ClN3O
Molecular Weight502.02 g/mol
Exact Mass501.16
IUPAC Name[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C32H24ClN3O/c1-21-30(31(23-13-7-3-8-14-23)26-19-25(33)17-18-27(26)34-21)28-20-29(22-11-5-2-6-12-22)36(35-28)32(37)24-15-9-4-10-16-24/h2-19,29H,20H2,1H3
InChIKeySSYJWWPMGAHHFB-UHFFFAOYSA-N
XLogP7.86
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.02
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 3102931) is [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C1=NN(C(=O)c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is SSYJWWPMGAHHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24ClN3O/c1-21-30(31(23-13-7-3-8-14-23)26-19-25(33)17-18-27(26)34-21)28-20-29(22-11-5-2-6-12-22)36(35-28)32(37)24-15-9-4-10-16-24/h2-19,29H,20H2,1H3.
What are the key properties of [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 502.02 g/mol, XLogP of 7.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 3102931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).