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

C25H22FN3O5 — CID 69321364

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H22FN3O5/c1-31-22-12-17(8-9-19(22)29-25(30)28-16-6-4-15(26)5-7-16)34-21-10-11-27-20-14-24(33-3)23(32-2)13-18(20)21/h4-14H,1-3H3,(H2,28,29,30)
InChIKeyZWCGTNFWBLJVFK-UHFFFAOYSA-N
MW463.47 g/mol
LogP5.84
Rot. Bonds7

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

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea (PubChem CID 69321364) has the molecular formula C25H22FN3O5 and a molecular weight of 463.47 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
PubChem CID69321364
Molecular FormulaC25H22FN3O5
Molecular Weight463.47 g/mol
Exact Mass463.15
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H22FN3O5/c1-31-22-12-17(8-9-19(22)29-25(30)28-16-6-4-15(26)5-7-16)34-21-10-11-27-20-14-24(33-3)23(32-2)13-18(20)21/h4-14H,1-3H3,(H2,28,29,30)
InChIKeyZWCGTNFWBLJVFK-UHFFFAOYSA-N
XLogP5.84
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.47
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
CID 58931501
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
N-but-2-en-2-yl-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4-fluorophenyl)-2-methyliminopropanediamide
CID 123387630
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-[4-(6-cyano-7-methoxyquinolin-4-yl)oxyphenyl]-3-(2,4-difluorophenyl)urea
CID 22936794
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053
N-(2,4-difluorophenyl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-methoxypropanediamide
CID 22935461
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;phosphoric acid
CID 122573028

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea (CID 69321364) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea is COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
The InChIKey is ZWCGTNFWBLJVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O5/c1-31-22-12-17(8-9-19(22)29-25(30)28-16-6-4-15(26)5-7-16)34-21-10-11-27-20-14-24(33-3)23(32-2)13-18(20)21/h4-14H,1-3H3,(H2,28,29,30).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea has a molecular weight of 463.47 g/mol, XLogP of 5.84, 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)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 69321364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).