1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea

C23H20FN5O2 — CID 155206361

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ncnc2c1
InChIInChI=1S/C23H20FN5O2/c1-29(2)18-9-12-20-21(13-18)25-14-26-22(20)31-19-10-7-17(8-11-19)28-23(30)27-16-5-3-15(24)4-6-16/h3-14H,1-2H3,(H2,27,28,30)
InChIKeyVKHIVCGLRCTSFM-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.27
Rot. Bonds5

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea (PubChem CID 155206361) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
PubChem CID155206361
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ncnc2c1
InChIInChI=1S/C23H20FN5O2/c1-29(2)18-9-12-20-21(13-18)25-14-26-22(20)31-19-10-7-17(8-11-19)28-23(30)27-16-5-3-15(24)4-6-16/h3-14H,1-2H3,(H2,27,28,30)
InChIKeyVKHIVCGLRCTSFM-UHFFFAOYSA-N
XLogP5.27
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea
CID 155206380
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 155206373
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155195529
1-[4-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-3-(4-fluorophenyl)urea
CID 58930961
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-1-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155206513
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-[7-(3-methoxypropoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329083
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[7-(2-ethoxyethoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329160
N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 165031012
1-(4-fluorophenyl)-3-[4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]urea;4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]aniline
CID 159683979
1-(4-fluorophenyl)-3-[4-[[6-[(4-methylpiperazin-1-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]urea
CID 58931412

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea (CID 155206361) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea?
The InChIKey is VKHIVCGLRCTSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-29(2)18-9-12-20-21(13-18)25-14-26-22(20)31-19-10-7-17(8-11-19)28-23(30)27-16-5-3-15(24)4-6-16/h3-14H,1-2H3,(H2,27,28,30).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea has a molecular weight of 417.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 155206361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).