N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine

C21H23FN4O3S — CID 22719710

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine
SMILESO=S(=O)(CC(NO)c1ccnc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O3S/c22-16-5-7-17(8-6-16)25-11-13-26(14-12-25)30(28,29)15-21(24-27)19-9-10-23-20-4-2-1-3-18(19)20/h1-10,21,24,27H,11-15H2
InChIKeyPVWNVPSRTZGBOO-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine (PubChem CID 22719710) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine
PubChem CID22719710
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine
SMILESO=S(=O)(CC(NO)c1ccnc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O3S/c22-16-5-7-17(8-6-16)25-11-13-26(14-12-25)30(28,29)15-21(24-27)19-9-10-23-20-4-2-1-3-18(19)20/h1-10,21,24,27H,11-15H2
InChIKeyPVWNVPSRTZGBOO-UHFFFAOYSA-N
XLogP2.55
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine (CID 22719710) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine is O=S(=O)(CC(NO)c1ccnc2ccccc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine?
The InChIKey is PVWNVPSRTZGBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c22-16-5-7-17(8-6-16)25-11-13-26(14-12-25)30(28,29)15-21(24-27)19-9-10-23-20-4-2-1-3-18(19)20/h1-10,21,24,27H,11-15H2.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine has a molecular weight of 430.51 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-quinolin-4-ylethyl]hydroxylamine is sourced from PubChem (CID 22719710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).