N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide

C31H32FN5O4S — CID 129043044

IUPACN-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
SMILESCOc1nc(C2CCCC2)ccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1
InChIInChI=1S/C31H32FN5O4S/c1-41-30-27(14-13-25(34-30)21-6-2-3-7-21)36-16-18-37(19-17-36)31(38)23-11-12-26(24(32)20-23)35-42(39,40)28-10-4-8-22-9-5-15-33-29(22)28/h4-5,8-15,20-21,35H,2-3,6-7,16-19H2,1H3
InChIKeyJAWDFNOFPBFPOC-UHFFFAOYSA-N
MW589.69 g/mol
LogP5.20
Rot. Bonds7

About N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide

N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide (PubChem CID 129043044) has the molecular formula C31H32FN5O4S and a molecular weight of 589.69 g/mol. Its IUPAC name is N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
PubChem CID129043044
Molecular FormulaC31H32FN5O4S
Molecular Weight589.69 g/mol
Exact Mass589.22
IUPAC NameN-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
SMILESCOc1nc(C2CCCC2)ccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1
InChIInChI=1S/C31H32FN5O4S/c1-41-30-27(14-13-25(34-30)21-6-2-3-7-21)36-16-18-37(19-17-36)31(38)23-11-12-26(24(32)20-23)35-42(39,40)28-10-4-8-22-9-5-15-33-29(22)28/h4-5,8-15,20-21,35H,2-3,6-7,16-19H2,1H3
InChIKeyJAWDFNOFPBFPOC-UHFFFAOYSA-N
XLogP5.20
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[4-[(3-fluoro-2-pyridinyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67505105
N-[2-fluoro-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505097
N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)-2-fluorophenyl]quinoline-8-sulfonamide
CID 67504796
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 59634800
cyclopentyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634947
N-[2-fluoro-4-[4-[fluoro-(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 155095377
N-[4-[4-[[3-(cyclopentylmethoxy)-2-pyridinyl]methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 129042909
N-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59635197
cyclopentane;methyl 4-[4-(quinolin-8-ylsulfonylamino)-3-(trifluoromethoxy)benzoyl]piperazine-1-carboxylate
CID 174712671
N-[2-fluoro-4-[4-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 134404549
2-(2-cyclopentylethyl)-4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylic acid
CID 155095353
oxan-4-yl 4-[3-methoxy-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 134404515

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide (CID 129043044) is N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide is COc1nc(C2CCCC2)ccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.
What is the InChIKey of N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide?
The InChIKey is JAWDFNOFPBFPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O4S/c1-41-30-27(14-13-25(34-30)21-6-2-3-7-21)36-16-18-37(19-17-36)31(38)23-11-12-26(24(32)20-23)35-42(39,40)28-10-4-8-22-9-5-15-33-29(22)28/h4-5,8-15,20-21,35H,2-3,6-7,16-19H2,1H3.
What are the key properties of N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide?
N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide has a molecular weight of 589.69 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-cyclopentyl-2-methoxy-3-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 129043044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).