N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine

C17H20FN3O2S — CID 133348527

IUPACN-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2ccnc3cc(F)ccc23)CC1
InChIInChI=1S/C17H20FN3O2S/c18-12-1-4-15-16(5-8-19-17(15)11-12)20-13-6-9-21(10-7-13)24(22,23)14-2-3-14/h1,4-5,8,11,13-14H,2-3,6-7,9-10H2,(H,19,20)
InChIKeyPPWXOTNXKPEQQD-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.74
Rot. Bonds4

About N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine

N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine (PubChem CID 133348527) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine
PubChem CID133348527
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine
SMILESO=S(=O)(C1CC1)N1CCC(Nc2ccnc3cc(F)ccc23)CC1
InChIInChI=1S/C17H20FN3O2S/c18-12-1-4-15-16(5-8-19-17(15)11-12)20-13-6-9-21(10-7-13)24(22,23)14-2-3-14/h1,4-5,8,11,13-14H,2-3,6-7,9-10H2,(H,19,20)
InChIKeyPPWXOTNXKPEQQD-UHFFFAOYSA-N
XLogP2.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine?
The IUPAC name of N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine (CID 133348527) is N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine.
What is the SMILES notation for N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine?
The canonical SMILES for N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine is O=S(=O)(C1CC1)N1CCC(Nc2ccnc3cc(F)ccc23)CC1.
What is the InChIKey of N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine?
The InChIKey is PPWXOTNXKPEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-12-1-4-15-16(5-8-19-17(15)11-12)20-13-6-9-21(10-7-13)24(22,23)14-2-3-14/h1,4-5,8,11,13-14H,2-3,6-7,9-10H2,(H,19,20).
What are the key properties of N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine?
N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylsulfonylpiperidin-4-yl)-7-fluoroquinolin-4-amine is sourced from PubChem (CID 133348527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).