N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide

C37H40F2N6O5S — CID 170554538

IUPACN-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide
SMILESCOc1ncc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C37H40F2N6O5S/c1-24-28-18-25(26-19-32(37(49-2)41-22-26)45-51(47,48)34-16-15-27(38)21-29(34)39)20-33(36(28)43-23-42-24)50-17-11-7-5-3-4-6-8-14-35(46)44-31-13-10-9-12-30(31)40/h9-10,12-13,15-16,18-23,45H,3-8,11,14,17,40H2,1-2H3,(H,44,46)
InChIKeyXDPVCVXISVNZOJ-UHFFFAOYSA-N
MW718.83 g/mol
LogP7.81
Rot. Bonds17

About N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide

N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide (PubChem CID 170554538) has the molecular formula C37H40F2N6O5S and a molecular weight of 718.83 g/mol. Its IUPAC name is N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide
PubChem CID170554538
Molecular FormulaC37H40F2N6O5S
Molecular Weight718.83 g/mol
Exact Mass718.27
IUPAC NameN-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide
SMILESCOc1ncc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C37H40F2N6O5S/c1-24-28-18-25(26-19-32(37(49-2)41-22-26)45-51(47,48)34-16-15-27(38)21-29(34)39)20-33(36(28)43-23-42-24)50-17-11-7-5-3-4-6-8-14-35(46)44-31-13-10-9-12-30(31)40/h9-10,12-13,15-16,18-23,45H,3-8,11,14,17,40H2,1-2H3,(H,44,46)
InChIKeyXDPVCVXISVNZOJ-UHFFFAOYSA-N
XLogP7.81
TPSA158.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.83
LogP ≤ 57.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide?
The IUPAC name of N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide (CID 170554538) is N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide.
What is the SMILES notation for N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide?
The canonical SMILES for N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide is COc1ncc(-c2cc(OCCCCCCCCCC(=O)Nc3ccccc3N)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide?
The InChIKey is XDPVCVXISVNZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40F2N6O5S/c1-24-28-18-25(26-19-32(37(49-2)41-22-26)45-51(47,48)34-16-15-27(38)21-29(34)39)20-33(36(28)43-23-42-24)50-17-11-7-5-3-4-6-8-14-35(46)44-31-13-10-9-12-30(31)40/h9-10,12-13,15-16,18-23,45H,3-8,11,14,17,40H2,1-2H3,(H,44,46).
What are the key properties of N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide?
N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide has a molecular weight of 718.83 g/mol, XLogP of 7.81, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-10-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxydecanamide is sourced from PubChem (CID 170554538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).