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

C26H24FN3O5 — CID 139799425

IUPAC3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O5/c1-30(17-7-5-16(27)6-8-17)26(31)29-20-10-9-18(13-23(20)32-2)35-22-11-12-28-21-15-25(34-4)24(33-3)14-19(21)22/h5-15H,1-4H3,(H,29,31)
InChIKeyDGGBCBKDEDMWHV-UHFFFAOYSA-N
MW477.49 g/mol
LogP5.86
Rot. Bonds7

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

3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea (PubChem CID 139799425) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
PubChem CID139799425
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC Name3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
SMILESCOc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O5/c1-30(17-7-5-16(27)6-8-17)26(31)29-20-10-9-18(13-23(20)32-2)35-22-11-12-28-21-15-25(34-4)24(33-3)14-19(21)22/h5-15H,1-4H3,(H,29,31)
InChIKeyDGGBCBKDEDMWHV-UHFFFAOYSA-N
XLogP5.86
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(aminomethoxy)-7-methoxyquinolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)-1-methylurea
CID 58931193
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-methoxyphenyl)-1-methylurea
CID 22132699
N-but-2-en-2-yl-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4-fluorophenyl)-2-methyliminopropanediamide
CID 123387630
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053
1-[4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 88925602
N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
[4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-6-methoxyquinolin-7-yl] N,N-dimethylcarbamate
CID 142610293
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-(4-fluorophenyl)-3-[4-[6-(methanesulfonamido)-7-methoxyquinolin-4-yl]oxyphenyl]urea
CID 58931501
N-(2,4-difluorophenyl)-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-methoxypropanediamide
CID 22935461
[4-(4-fluorophenyl)-3,5-dioxo-2-propan-2-yl-1,2,4-triazin-6-yl] N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]carbamate
CID 121332003

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea?
The IUPAC name of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea (CID 139799425) is 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea.
What is the SMILES notation for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea?
The canonical SMILES for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea is COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea?
The InChIKey is DGGBCBKDEDMWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c1-30(17-7-5-16(27)6-8-17)26(31)29-20-10-9-18(13-23(20)32-2)35-22-11-12-28-21-15-25(34-4)24(33-3)14-19(21)22/h5-15H,1-4H3,(H,29,31).
What are the key properties of 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea?
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea has a molecular weight of 477.49 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea is sourced from PubChem (CID 139799425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).