1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide

C34H32F2N6O6 — CID 156759258

IUPAC1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(Oc3ncnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)n1
InChIInChI=1S/C34H32F2N6O6/c1-21-17-22(35)3-5-27(21)42-9-7-25(40-42)33(43)39-23-4-6-28(24(36)18-23)48-34-30-26(37-20-38-34)19-29(31-32(30)47-16-15-46-31)45-12-2-8-41-10-13-44-14-11-41/h3-7,9,17-20H,2,8,10-16H2,1H3,(H,39,43)
InChIKeyXLZPYZZIORFSNM-UHFFFAOYSA-N
MW658.66 g/mol
LogP5.32
Rot. Bonds10

About 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide (PubChem CID 156759258) has the molecular formula C34H32F2N6O6 and a molecular weight of 658.66 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide
PubChem CID156759258
Molecular FormulaC34H32F2N6O6
Molecular Weight658.66 g/mol
Exact Mass658.24
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(Oc3ncnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)n1
InChIInChI=1S/C34H32F2N6O6/c1-21-17-22(35)3-5-27(21)42-9-7-25(40-42)33(43)39-23-4-6-28(24(36)18-23)48-34-30-26(37-20-38-34)19-29(31-32(30)47-16-15-46-31)45-12-2-8-41-10-13-44-14-11-41/h3-7,9,17-20H,2,8,10-16H2,1H3,(H,39,43)
InChIKeyXLZPYZZIORFSNM-UHFFFAOYSA-N
XLogP5.32
TPSA122.09 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500658.66
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide 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 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide (CID 156759258) is 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(Oc3ncnc4cc(OCCCN5CCOCC5)c5c(c34)OCCO5)c(F)c2)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is XLZPYZZIORFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N6O6/c1-21-17-22(35)3-5-27(21)42-9-7-25(40-42)33(43)39-23-4-6-28(24(36)18-23)48-34-30-26(37-20-38-34)19-29(31-32(30)47-16-15-46-31)45-12-2-8-41-10-13-44-14-11-41/h3-7,9,17-20H,2,8,10-16H2,1H3,(H,39,43).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide has a molecular weight of 658.66 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-[3-fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 156759258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).