1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea

C19H19N3O4 — CID 23084603

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19N3O4/c1-20-19(23)22-12-4-6-13(7-5-12)26-16-8-9-21-15-11-18(25-3)17(24-2)10-14(15)16/h4-11H,1-3H3,(H2,20,22,23)
InChIKeyDYVDYQJEFLOFJM-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea (PubChem CID 23084603) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
PubChem CID23084603
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19N3O4/c1-20-19(23)22-12-4-6-13(7-5-12)26-16-8-9-21-15-11-18(25-3)17(24-2)10-14(15)16/h4-11H,1-3H3,(H2,20,22,23)
InChIKeyDYVDYQJEFLOFJM-UHFFFAOYSA-N
XLogP3.80
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 22132639
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 10050530
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3,3-dimethylbutyl)urea;hydrochloride
CID 23022726
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea (CID 23084603) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea is CNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea?
The InChIKey is DYVDYQJEFLOFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-20-19(23)22-12-4-6-13(7-5-12)26-16-8-9-21-15-11-18(25-3)17(24-2)10-14(15)16/h4-11H,1-3H3,(H2,20,22,23).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea has a molecular weight of 353.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea is sourced from PubChem (CID 23084603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).