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

C24H23N5O3 — CID 155206373

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1
InChIInChI=1S/C24H23N5O3/c1-29(2)18-8-13-21-22(14-18)25-15-26-23(21)32-20-11-6-17(7-12-20)28-24(30)27-16-4-9-19(31-3)10-5-16/h4-15H,1-3H3,(H2,27,28,30)
InChIKeyRTWJZWFAMFOLDK-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.14
Rot. Bonds6

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

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea (PubChem CID 155206373) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
PubChem CID155206373
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1
InChIInChI=1S/C24H23N5O3/c1-29(2)18-8-13-21-22(14-18)25-15-26-23(21)32-20-11-6-17(7-12-20)28-24(30)27-16-4-9-19(31-3)10-5-16/h4-15H,1-3H3,(H2,27,28,30)
InChIKeyRTWJZWFAMFOLDK-UHFFFAOYSA-N
XLogP5.14
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea with MolForge

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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-(3-fluorophenyl)urea
CID 155206380
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155195529
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
N-hydroxy-2-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]acetamide
CID 172991562
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-1-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155206513
1-(4-chlorophenyl)-3-[4-[7-(4-methoxypiperidin-1-yl)quinazolin-4-yl]oxyphenyl]urea
CID 155206375
1,3-bis(4-methoxyphenyl)urea
CID 139045428

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea (CID 155206373) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cc1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is RTWJZWFAMFOLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-29(2)18-8-13-21-22(14-18)25-15-26-23(21)32-20-11-6-17(7-12-20)28-24(30)27-16-4-9-19(31-3)10-5-16/h4-15H,1-3H3,(H2,27,28,30).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 429.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 155206373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).