1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea

C26H26N4O4 — CID 145278906

IUPAC1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
SMILESCNc1ccc(NC(=O)Nc2ccc(C)c(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1
InChIInChI=1S/C26H26N4O4/c1-16-5-6-19(30-26(31)29-18-9-7-17(27-2)8-10-18)13-23(16)34-22-11-12-28-21-15-25(33-4)24(32-3)14-20(21)22/h5-15,27H,1-4H3,(H2,29,30,31)
InChIKeyBIFBVXOBDMQGIA-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.04
Rot. Bonds7

About 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea

1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea (PubChem CID 145278906) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea.

Molecular Properties

Compound Name1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
PubChem CID145278906
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea
SMILESCNc1ccc(NC(=O)Nc2ccc(C)c(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1
InChIInChI=1S/C26H26N4O4/c1-16-5-6-19(30-26(31)29-18-9-7-17(27-2)8-10-18)13-23(16)34-22-11-12-28-21-15-25(33-4)24(32-3)14-20(21)22/h5-15,27H,1-4H3,(H2,29,30,31)
InChIKeyBIFBVXOBDMQGIA-UHFFFAOYSA-N
XLogP6.04
TPSA93.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-[(1-propanoylpiperidin-4-yl)amino]phenyl]urea
CID 126737879
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-[(1-prop-2-enoyl-2,3-dihydropyrrol-4-yl)amino]phenyl]urea
CID 141473660
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
(E)-but-2-enal;4-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-1-N-methylbenzene-1,4-diamine;ethane;formamide;2-methoxyprop-1-ene
CID 145278840
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 22637146
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3,3-dimethylbutyl)urea;hydrochloride
CID 23022726
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea?
The IUPAC name of 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea (CID 145278906) is 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea.
What is the SMILES notation for 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea?
The canonical SMILES for 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea is CNc1ccc(NC(=O)Nc2ccc(C)c(Oc3ccnc4cc(OC)c(OC)cc34)c2)cc1.
What is the InChIKey of 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea?
The InChIKey is BIFBVXOBDMQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-16-5-6-19(30-26(31)29-18-9-7-17(27-2)8-10-18)13-23(16)34-22-11-12-28-21-15-25(33-4)24(32-3)14-20(21)22/h5-15,27H,1-4H3,(H2,29,30,31).
What are the key properties of 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea?
1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea has a molecular weight of 458.52 g/mol, XLogP of 6.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,7-dimethoxyquinolin-4-yl)oxy-4-methylphenyl]-3-[4-(methylamino)phenyl]urea is sourced from PubChem (CID 145278906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).