1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea

C30H30F3N5O6 — CID 58267933

IUPAC1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
SMILESCOc1cc2c(Oc3cccc(NC(=O)Nc4ccc(OC)c(C(F)(F)F)c4)c3)ncnc2cc1OCCN1CCOCC1
InChIInChI=1S/C30H30F3N5O6/c1-40-25-7-6-20(15-23(25)30(31,32)33)37-29(39)36-19-4-3-5-21(14-19)44-28-22-16-26(41-2)27(17-24(22)34-18-35-28)43-13-10-38-8-11-42-12-9-38/h3-7,14-18H,8-13H2,1-2H3,(H2,36,37,39)
InChIKeyRDBVRWUICOXZJE-UHFFFAOYSA-N
MW613.59 g/mol
LogP5.81
Rot. Bonds10

About 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea

1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea (PubChem CID 58267933) has the molecular formula C30H30F3N5O6 and a molecular weight of 613.59 g/mol. Its IUPAC name is 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
PubChem CID58267933
Molecular FormulaC30H30F3N5O6
Molecular Weight613.59 g/mol
Exact Mass613.21
IUPAC Name1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
SMILESCOc1cc2c(Oc3cccc(NC(=O)Nc4ccc(OC)c(C(F)(F)F)c4)c3)ncnc2cc1OCCN1CCOCC1
InChIInChI=1S/C30H30F3N5O6/c1-40-25-7-6-20(15-23(25)30(31,32)33)37-29(39)36-19-4-3-5-21(14-19)44-28-22-16-26(41-2)27(17-24(22)34-18-35-28)43-13-10-38-8-11-42-12-9-38/h3-7,14-18H,8-13H2,1-2H3,(H2,36,37,39)
InChIKeyRDBVRWUICOXZJE-UHFFFAOYSA-N
XLogP5.81
TPSA116.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.59
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea 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-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea (CID 58267933) is 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea is COc1cc2c(Oc3cccc(NC(=O)Nc4ccc(OC)c(C(F)(F)F)c4)c3)ncnc2cc1OCCN1CCOCC1.
What is the InChIKey of 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
The InChIKey is RDBVRWUICOXZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N5O6/c1-40-25-7-6-20(15-23(25)30(31,32)33)37-29(39)36-19-4-3-5-21(14-19)44-28-22-16-26(41-2)27(17-24(22)34-18-35-28)43-13-10-38-8-11-42-12-9-38/h3-7,14-18H,8-13H2,1-2H3,(H2,36,37,39).
What are the key properties of 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea?
1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea has a molecular weight of 613.59 g/mol, XLogP of 5.81, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinazolin-4-yl]oxyphenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 58267933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).