5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine

C18H15FN4O2S — CID 156879560

IUPAC5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine
SMILESCNc1nc2cc3[nH]ncc3cc2c(-c2ccc(F)cc2)c1S(C)(=O)=O
InChIInChI=1S/C18H15FN4O2S/c1-20-18-17(26(2,24)25)16(10-3-5-12(19)6-4-10)13-7-11-9-21-23-14(11)8-15(13)22-18/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyARRKDKYOPWBIMI-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.36
Rot. Bonds3

About 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine

5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine (PubChem CID 156879560) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine
PubChem CID156879560
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC Name5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine
SMILESCNc1nc2cc3[nH]ncc3cc2c(-c2ccc(F)cc2)c1S(C)(=O)=O
InChIInChI=1S/C18H15FN4O2S/c1-20-18-17(26(2,24)25)16(10-3-5-12(19)6-4-10)13-7-11-9-21-23-14(11)8-15(13)22-18/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyARRKDKYOPWBIMI-UHFFFAOYSA-N
XLogP3.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine (CID 156879560) is 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine is CNc1nc2cc3[nH]ncc3cc2c(-c2ccc(F)cc2)c1S(C)(=O)=O.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine?
The InChIKey is ARRKDKYOPWBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-20-18-17(26(2,24)25)16(10-3-5-12(19)6-4-10)13-7-11-9-21-23-14(11)8-15(13)22-18/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine?
5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine has a molecular weight of 370.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-6-methylsulfonyl-1H-pyrazolo[4,3-g]quinolin-7-amine is sourced from PubChem (CID 156879560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).