3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine

C23H24N4O2S — CID 71717133

IUPAC3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine
SMILESCC(C)Nc1c(-c2cnn(C)c2)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C23H24N4O2S/c1-15(2)26-23-20-10-7-17(16-5-8-19(9-6-16)30(4,28)29)11-22(20)24-13-21(23)18-12-25-27(3)14-18/h5-15H,1-4H3,(H,24,26)
InChIKeyFIIGCFKJCFIXSP-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.53
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine

3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine (PubChem CID 71717133) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine
PubChem CID71717133
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine
SMILESCC(C)Nc1c(-c2cnn(C)c2)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C23H24N4O2S/c1-15(2)26-23-20-10-7-17(16-5-8-19(9-6-16)30(4,28)29)11-22(20)24-13-21(23)18-12-25-27(3)14-18/h5-15H,1-4H3,(H,24,26)
InChIKeyFIIGCFKJCFIXSP-UHFFFAOYSA-N
XLogP4.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine (CID 71717133) is 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine is CC(C)Nc1c(-c2cnn(C)c2)cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine?
The InChIKey is FIIGCFKJCFIXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-15(2)26-23-20-10-7-17(16-5-8-19(9-6-16)30(4,28)29)11-22(20)24-13-21(23)18-12-25-27(3)14-18/h5-15H,1-4H3,(H,24,26).
What are the key properties of 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine?
3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine has a molecular weight of 420.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-7-(4-methylsulfonylphenyl)-N-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 71717133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).