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

C25H21BrN4O5 — CID 22935470

IUPAC1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Nc4ccccc4Br)cc3)c2cc1OC
InChIInChI=1S/C25H21BrN4O5/c1-33-22-13-17-20(14-23(22)34-2)27-12-11-21(17)35-16-9-7-15(8-10-16)28-24(31)30-25(32)29-19-6-4-3-5-18(19)26/h3-14H,1-2H3,(H3,28,29,30,31,32)
InChIKeyMTHUNHMKJBZBOU-UHFFFAOYSA-N
MW537.37 g/mol
LogP6.16
Rot. Bonds6

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

1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea (PubChem CID 22935470) has the molecular formula C25H21BrN4O5 and a molecular weight of 537.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
PubChem CID22935470
Molecular FormulaC25H21BrN4O5
Molecular Weight537.37 g/mol
Exact Mass536.07
IUPAC Name1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Nc4ccccc4Br)cc3)c2cc1OC
InChIInChI=1S/C25H21BrN4O5/c1-33-22-13-17-20(14-23(22)34-2)27-12-11-21(17)35-16-9-7-15(8-10-16)28-24(31)30-25(32)29-19-6-4-3-5-18(19)26/h3-14H,1-2H3,(H3,28,29,30,31,32)
InChIKeyMTHUNHMKJBZBOU-UHFFFAOYSA-N
XLogP6.16
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.37
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]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-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-(2,3-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 11270888
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea
CID 22935472
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-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(pyridin-2-ylmethyl)urea
CID 22132639
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
7-[4-[4-[(2-chlorophenyl)carbamoylamino]phenoxy]-6-methoxyquinolin-7-yl]oxy-N-hydroxyheptanamide
CID 162662388
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea (CID 22935470) is 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea is COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)Nc4ccccc4Br)cc3)c2cc1OC.
What is the InChIKey of 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea?
The InChIKey is MTHUNHMKJBZBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O5/c1-33-22-13-17-20(14-23(22)34-2)27-12-11-21(17)35-16-9-7-15(8-10-16)28-24(31)30-25(32)29-19-6-4-3-5-18(19)26/h3-14H,1-2H3,(H3,28,29,30,31,32).
What are the key properties of 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea?
1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea has a molecular weight of 537.37 g/mol, XLogP of 6.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]urea is sourced from PubChem (CID 22935470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).