1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea

C23H20N4O4 — CID 67202836

IUPAC1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
SMILESCOc1cc2nccc(Oc3ccccc3NC(=O)Nc3cccnc3)c2cc1OC
InChIInChI=1S/C23H20N4O4/c1-29-21-12-16-18(13-22(21)30-2)25-11-9-19(16)31-20-8-4-3-7-17(20)27-23(28)26-15-6-5-10-24-14-15/h3-14H,1-2H3,(H2,26,27,28)
InChIKeyVJXVFZOHYCXIQU-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.08
Rot. Bonds6

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

1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea (PubChem CID 67202836) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
PubChem CID67202836
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
SMILESCOc1cc2nccc(Oc3ccccc3NC(=O)Nc3cccnc3)c2cc1OC
InChIInChI=1S/C23H20N4O4/c1-29-21-12-16-18(13-22(21)30-2)25-11-9-19(16)31-20-8-4-3-7-17(20)27-23(28)26-15-6-5-10-24-14-15/h3-14H,1-2H3,(H2,26,27,28)
InChIKeyVJXVFZOHYCXIQU-UHFFFAOYSA-N
XLogP5.08
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
cis-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-pyridin-3-ylcyclopropane-1,2-dicarboxamide
CID 178037513
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935470
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
CID 145278906
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea (CID 67202836) is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea is COc1cc2nccc(Oc3ccccc3NC(=O)Nc3cccnc3)c2cc1OC.
What is the InChIKey of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea?
The InChIKey is VJXVFZOHYCXIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-29-21-12-16-18(13-22(21)30-2)25-11-9-19(16)31-20-8-4-3-7-17(20)27-23(28)26-15-6-5-10-24-14-15/h3-14H,1-2H3,(H2,26,27,28).
What are the key properties of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea?
1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea has a molecular weight of 416.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 67202836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).