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

C26H24N4O6 — CID 22935499

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
SMILESCOc1ccccc1NC(=O)NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C26H24N4O6/c1-33-22-7-5-4-6-19(22)29-26(32)30-25(31)28-16-8-10-17(11-9-16)36-21-12-13-27-20-15-24(35-3)23(34-2)14-18(20)21/h4-15H,1-3H3,(H3,28,29,30,31,32)
InChIKeyLMRVQXLVIMPAFZ-UHFFFAOYSA-N
MW488.50 g/mol
LogP5.41
Rot. Bonds7

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

1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea (PubChem CID 22935499) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
PubChem CID22935499
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
SMILESCOc1ccccc1NC(=O)NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C26H24N4O6/c1-33-22-7-5-4-6-19(22)29-26(32)30-25(31)28-16-8-10-17(11-9-16)36-21-12-13-27-20-15-24(35-3)23(34-2)14-18(20)21/h4-15H,1-3H3,(H3,28,29,30,31,32)
InChIKeyLMRVQXLVIMPAFZ-UHFFFAOYSA-N
XLogP5.41
TPSA120.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.50
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylurea
CID 23084603
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 22132639
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935472
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
methyl 2-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-hydroxyphenyl]carbamoylcarbamoylamino]benzoate
CID 91515267
1-(2,6-dichlorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11225457
1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
CID 67202836

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea (CID 22935499) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea is COc1ccccc1NC(=O)NC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea?
The InChIKey is LMRVQXLVIMPAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-33-22-7-5-4-6-19(22)29-26(32)30-25(31)28-16-8-10-17(11-9-16)36-21-12-13-27-20-15-24(35-3)23(34-2)14-18(20)21/h4-15H,1-3H3,(H3,28,29,30,31,32).
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea has a molecular weight of 488.50 g/mol, XLogP of 5.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea is sourced from PubChem (CID 22935499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).