N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C26H24FN5O4S — CID 59635023

IUPACN-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCOc1ncccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1
InChIInChI=1S/C26H24FN5O4S/c1-36-25-22(7-4-12-29-25)31-13-15-32(16-14-31)26(33)19-9-10-21(20(27)17-19)30-37(34,35)23-8-2-5-18-6-3-11-28-24(18)23/h2-12,17,30H,13-16H2,1H3
InChIKeyRNOXUCNJBVFJNV-UHFFFAOYSA-N
MW521.57 g/mol
LogP3.54
Rot. Bonds6

About N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 59635023) has the molecular formula C26H24FN5O4S and a molecular weight of 521.57 g/mol. Its IUPAC name is N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID59635023
Molecular FormulaC26H24FN5O4S
Molecular Weight521.57 g/mol
Exact Mass521.15
IUPAC NameN-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCOc1ncccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1
InChIInChI=1S/C26H24FN5O4S/c1-36-25-22(7-4-12-29-25)31-13-15-32(16-14-31)26(33)19-9-10-21(20(27)17-19)30-37(34,35)23-8-2-5-18-6-3-11-28-24(18)23/h2-12,17,30H,13-16H2,1H3
InChIKeyRNOXUCNJBVFJNV-UHFFFAOYSA-N
XLogP3.54
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 59635023) is N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is COc1ncccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.
What is the InChIKey of N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is RNOXUCNJBVFJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4S/c1-36-25-22(7-4-12-29-25)31-13-15-32(16-14-31)26(33)19-9-10-21(20(27)17-19)30-37(34,35)23-8-2-5-18-6-3-11-28-24(18)23/h2-12,17,30H,13-16H2,1H3.
What are the key properties of N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 521.57 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[4-(2-methoxy-3-pyridinyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 59635023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).