(4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate

C42H41F2N7O9S — CID 178136133

IUPAC(4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate
SMILESCOCCOCCOCCN(CN(c1cc(-c2ccc3nccc(-c4ccnnc4)c3c2)cnc1OC)S(=O)(=O)c1ccc(F)cc1F)C(=O)OCc1ccc(NC=O)cc1
InChIInChI=1S/C42H41F2N7O9S/c1-56-17-18-59-20-19-58-16-15-50(42(53)60-26-29-3-7-34(8-4-29)47-27-52)28-51(61(54,55)40-10-6-33(43)23-37(40)44)39-22-32(24-46-41(39)57-2)30-5-9-38-36(21-30)35(12-13-45-38)31-11-14-48-49-25-31/h3-14,21-25,27H,15-20,26,28H2,1-2H3,(H,47,52)
InChIKeyLNLCJLWZZZNBJP-UHFFFAOYSA-N
MW857.89 g/mol
LogP6.08
Rot. Bonds21

About (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate

(4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate (PubChem CID 178136133) has the molecular formula C42H41F2N7O9S and a molecular weight of 857.89 g/mol. Its IUPAC name is (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name(4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate
PubChem CID178136133
Molecular FormulaC42H41F2N7O9S
Molecular Weight857.89 g/mol
Exact Mass857.27
IUPAC Name(4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate
SMILESCOCCOCCOCCN(CN(c1cc(-c2ccc3nccc(-c4ccnnc4)c3c2)cnc1OC)S(=O)(=O)c1ccc(F)cc1F)C(=O)OCc1ccc(NC=O)cc1
InChIInChI=1S/C42H41F2N7O9S/c1-56-17-18-59-20-19-58-16-15-50(42(53)60-26-29-3-7-34(8-4-29)47-27-52)28-51(61(54,55)40-10-6-33(43)23-37(40)44)39-22-32(24-46-41(39)57-2)30-5-9-38-36(21-30)35(12-13-45-38)31-11-14-48-49-25-31/h3-14,21-25,27H,15-20,26,28H2,1-2H3,(H,47,52)
InChIKeyLNLCJLWZZZNBJP-UHFFFAOYSA-N
XLogP6.08
TPSA184.50 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.89
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]-2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-amine
CID 162510947
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539863
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 118352671
2,4-difluoro-N-[2-(hydroxymethyl)-5-(4-pyridazin-4-ylquinolin-7-yl)-3-pyridinyl]benzenesulfonamide
CID 153496424
2,4-difluoro-N-[6-[4-[6-(hydroxymethyl)-3-pyridinyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 176816811
2,4-difluoro-N-[2-methoxy-5-[4-[(E)-4-oxo-4-pyrrolidin-1-ylbut-2-en-2-yl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162669761
N-[5-[4-[4-(2-ethyl-6-oxomorpholine-4-carbonyl)phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123177713
2,4-difluoro-N-[2-methoxy-5-[4-[(E)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162669724
N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123953305
[4-[[(3S)-3-[[2-[3-[2-[butanoyl(formyl)amino]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-6-(carbamoylamino)hex-1-en-2-yl]amino]phenyl]methyl N-(2,4-difluorophenyl)-N-[2-methoxy-5-[4-methyl-3-[(1E)-1-pyridazin-4-ylbuta-1,3-dienyl]phenyl]-3-pyridinyl]carbamate
CID 178136130
N-[5-[4-(5-tert-butylcyclooctyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 130291984
2-amino-N-(2-methoxyethyl)-5-(4-pyridin-4-ylquinolin-6-yl)pyridine-3-sulfonamide
CID 59860044

Frequently Asked Questions

What is the IUPAC name of (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate (CID 178136133) is (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate is COCCOCCOCCN(CN(c1cc(-c2ccc3nccc(-c4ccnnc4)c3c2)cnc1OC)S(=O)(=O)c1ccc(F)cc1F)C(=O)OCc1ccc(NC=O)cc1.
What is the InChIKey of (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate?
The InChIKey is LNLCJLWZZZNBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41F2N7O9S/c1-56-17-18-59-20-19-58-16-15-50(42(53)60-26-29-3-7-34(8-4-29)47-27-52)28-51(61(54,55)40-10-6-33(43)23-37(40)44)39-22-32(24-46-41(39)57-2)30-5-9-38-36(21-30)35(12-13-45-38)31-11-14-48-49-25-31/h3-14,21-25,27H,15-20,26,28H2,1-2H3,(H,47,52).
What are the key properties of (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate?
(4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate has a molecular weight of 857.89 g/mol, XLogP of 6.08, 21 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formamidophenyl)methyl N-[[(2,4-difluorophenyl)sulfonyl-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]amino]methyl]-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 178136133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).