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

C23H20FN5O2 — CID 155206380

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)ncnc2c1
InChIInChI=1S/C23H20FN5O2/c1-29(2)18-8-11-20-21(13-18)25-14-26-22(20)31-19-9-6-16(7-10-19)27-23(30)28-17-5-3-4-15(24)12-17/h3-14H,1-2H3,(H2,27,28,30)
InChIKeyFRSQWSPZLORXGO-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.27
Rot. Bonds5

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

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea (PubChem CID 155206380) 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-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea
PubChem CID155206380
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)ncnc2c1
InChIInChI=1S/C23H20FN5O2/c1-29(2)18-8-11-20-21(13-18)25-14-26-22(20)31-19-9-6-16(7-10-19)27-23(30)28-17-5-3-4-15(24)12-17/h3-14H,1-2H3,(H2,27,28,30)
InChIKeyFRSQWSPZLORXGO-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-(4-fluorophenyl)urea
CID 155206361
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-(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-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[7-(2-ethoxyethoxy)quinazolin-4-yl]oxyphenyl]urea
CID 57329160
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-1-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155206513
1-(3-methylphenyl)-3-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]urea
CID 52941625
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one
CID 164979475

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea (CID 155206380) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4cccc(F)c4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea?
The InChIKey is FRSQWSPZLORXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-29(2)18-8-11-20-21(13-18)25-14-26-22(20)31-19-9-6-16(7-10-19)27-23(30)28-17-5-3-4-15(24)12-17/h3-14H,1-2H3,(H2,27,28,30).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-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-(3-fluorophenyl)urea is sourced from PubChem (CID 155206380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).