1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea

C25H23N3O5 — CID 11224592

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C25H23N3O5/c1-30-22-7-5-4-6-19(22)28-25(29)27-16-8-10-17(11-9-16)33-21-12-13-26-20-15-24(32-3)23(31-2)14-18(20)21/h4-15H,1-3H3,(H2,27,28,29)
InChIKeyJGRUAZVMJJCPHI-UHFFFAOYSA-N
MW445.48 g/mol
LogP5.70
Rot. Bonds7

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea (PubChem CID 11224592) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
PubChem CID11224592
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C25H23N3O5/c1-30-22-7-5-4-6-19(22)28-25(29)27-16-8-10-17(11-9-16)33-21-12-13-26-20-15-24(32-3)23(31-2)14-18(20)21/h4-15H,1-3H3,(H2,27,28,29)
InChIKeyJGRUAZVMJJCPHI-UHFFFAOYSA-N
XLogP5.70
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea (CID 11224592) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea?
The InChIKey is JGRUAZVMJJCPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-30-22-7-5-4-6-19(22)28-25(29)27-16-8-10-17(11-9-16)33-21-12-13-26-20-15-24(32-3)23(31-2)14-18(20)21/h4-15H,1-3H3,(H2,27,28,29).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea has a molecular weight of 445.48 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 11224592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).