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

C24H22N4O4 — CID 22132639

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccn4)cc3)c2cc1OC
InChIInChI=1S/C24H22N4O4/c1-30-22-13-19-20(14-23(22)31-2)26-12-10-21(19)32-18-8-6-16(7-9-18)28-24(29)27-15-17-5-3-4-11-25-17/h3-14H,15H2,1-2H3,(H2,27,28,29)
InChIKeyWSTXLYAMEFUKOP-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.76
Rot. Bonds7

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

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 22132639) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID22132639
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccn4)cc3)c2cc1OC
InChIInChI=1S/C24H22N4O4/c1-30-22-13-19-20(14-23(22)31-2)26-12-10-21(19)32-18-8-6-16(7-9-18)28-24(29)27-15-17-5-3-4-11-25-17/h3-14H,15H2,1-2H3,(H2,27,28,29)
InChIKeyWSTXLYAMEFUKOP-UHFFFAOYSA-N
XLogP4.76
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoroaniline;1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(pyridin-2-ylmethyl)urea
CID 70204498
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3,3-dimethylbutyl)urea;hydrochloride
CID 23022726
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935470
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 10050530
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea (CID 22132639) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea is COc1cc2nccc(Oc3ccc(NC(=O)NCc4ccccn4)cc3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is WSTXLYAMEFUKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-30-22-13-19-20(14-23(22)31-2)26-12-10-21(19)32-18-8-6-16(7-9-18)28-24(29)27-15-17-5-3-4-11-25-17/h3-14H,15H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 430.46 g/mol, XLogP of 4.76, 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-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 22132639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).