N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C26H29N3O4S — CID 90419962

IUPACN-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(C)CC1(C=O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C26H29N3O4S/c1-19(2)17-26(18-30)12-15-29(16-13-26)25(31)21-8-10-22(11-9-21)28-34(32,33)23-7-3-5-20-6-4-14-27-24(20)23/h3-11,14,18-19,28H,12-13,15-17H2,1-2H3
InChIKeyWPVDYBAOQDDCPY-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.50
Rot. Bonds7

About N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide

N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 90419962) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID90419962
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCC(C)CC1(C=O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C26H29N3O4S/c1-19(2)17-26(18-30)12-15-29(16-13-26)25(31)21-8-10-22(11-9-21)28-34(32,33)23-7-3-5-20-6-4-14-27-24(20)23/h3-11,14,18-19,28H,12-13,15-17H2,1-2H3
InChIKeyWPVDYBAOQDDCPY-UHFFFAOYSA-N
XLogP4.50
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Mitapivat
CID 59634741
Mitapivat Sulfate
CID 134693700
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 9889729
N-[4-(3-benzyl-3-hydroxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 57383377
N-benzyl-3-[(8-quinolinylsulfonyl)amino]benzamide
CID 993367
6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1257030
6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261894
N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 1287296
N-[4-(1-piperidinylcarbonyl)phenyl]-8-quinolinesulfonamide
CID 1295703
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 2946654
6-[(butylamino)sulfonyl]-N-(2-methoxyethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3509286

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 90419962) is N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is CC(C)CC1(C=O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is WPVDYBAOQDDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-19(2)17-26(18-30)12-15-29(16-13-26)25(31)21-8-10-22(11-9-21)28-34(32,33)23-7-3-5-20-6-4-14-27-24(20)23/h3-11,14,18-19,28H,12-13,15-17H2,1-2H3.
What are the key properties of N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 479.60 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-formyl-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90419962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).