1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea

C30H27F4N5O6 — CID 146421555

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ncnc3cc(OCCN4CCOCC4)c4c(c23)OCCO4)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C30H27F4N5O6/c31-21-6-1-18(30(32,33)34)15-22(21)38-29(40)37-19-2-4-20(5-3-19)45-28-25-23(35-17-36-28)16-24(26-27(25)44-14-13-43-26)42-12-9-39-7-10-41-11-8-39/h1-6,15-17H,7-14H2,(H2,37,38,40)
InChIKeyDYGCGFFVCYAIFG-UHFFFAOYSA-N
MW629.57 g/mol
LogP5.71
Rot. Bonds8

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea (PubChem CID 146421555) has the molecular formula C30H27F4N5O6 and a molecular weight of 629.57 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea
PubChem CID146421555
Molecular FormulaC30H27F4N5O6
Molecular Weight629.57 g/mol
Exact Mass629.19
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ncnc3cc(OCCN4CCOCC4)c4c(c23)OCCO4)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C30H27F4N5O6/c31-21-6-1-18(30(32,33)34)15-22(21)38-29(40)37-19-2-4-20(5-3-19)45-28-25-23(35-17-36-28)16-24(26-27(25)44-14-13-43-26)42-12-9-39-7-10-41-11-8-39/h1-6,15-17H,7-14H2,(H2,37,38,40)
InChIKeyDYGCGFFVCYAIFG-UHFFFAOYSA-N
XLogP5.71
TPSA116.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea with MolForge

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Related Compounds

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6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
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7-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 11328586
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
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1-[3-Fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
CID 141472655
1-[2-Fluoro-4-[[5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 146403681
Nrc-2694
CID 16129168

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea (CID 146421555) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea is O=C(Nc1ccc(Oc2ncnc3cc(OCCN4CCOCC4)c4c(c23)OCCO4)cc1)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea?
The InChIKey is DYGCGFFVCYAIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F4N5O6/c31-21-6-1-18(30(32,33)34)15-22(21)38-29(40)37-19-2-4-20(5-3-19)45-28-25-23(35-17-36-28)16-24(26-27(25)44-14-13-43-26)42-12-9-39-7-10-41-11-8-39/h1-6,15-17H,7-14H2,(H2,37,38,40).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea has a molecular weight of 629.57 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[5-(2-morpholin-4-ylethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]urea is sourced from PubChem (CID 146421555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).