1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea

C28H23N3O4 — CID 143083833

IUPAC1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)NCc5ccccc5)cccc4c3)c2cc1O
InChIInChI=1S/C28H23N3O4/c1-34-27-16-24-22(15-25(27)32)26(12-13-29-24)35-20-10-11-21-19(14-20)8-5-9-23(21)31-28(33)30-17-18-6-3-2-4-7-18/h2-16,32H,17H2,1H3,(H2,30,31,33)
InChIKeyOFCJAQNQPOSDPO-UHFFFAOYSA-N
MW465.51 g/mol
LogP6.22
Rot. Bonds6

About 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea

1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea (PubChem CID 143083833) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea
PubChem CID143083833
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea
SMILESCOc1cc2nccc(Oc3ccc4c(NC(=O)NCc5ccccc5)cccc4c3)c2cc1O
InChIInChI=1S/C28H23N3O4/c1-34-27-16-24-22(15-25(27)32)26(12-13-29-24)35-20-10-11-21-19(14-20)8-5-9-23(21)31-28(33)30-17-18-6-3-2-4-7-18/h2-16,32H,17H2,1H3,(H2,30,31,33)
InChIKeyOFCJAQNQPOSDPO-UHFFFAOYSA-N
XLogP6.22
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(2-fluorophenyl)urea
CID 59813803
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
1-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(4-propan-2-ylphenyl)urea
CID 59813824
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3,4-dimethylbenzamide
CID 59813296
4-bromo-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]benzamide
CID 59813443
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-methylbenzamide
CID 59813260
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
1-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-(2-phenylethyl)urea
CID 11626442
1-(4-tert-butylphenyl)-3-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]thiourea
CID 59813737
4-chloro-N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-3-(trifluoromethyl)benzamide
CID 59813855

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea?
The IUPAC name of 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea (CID 143083833) is 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea.
What is the SMILES notation for 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea?
The canonical SMILES for 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea is COc1cc2nccc(Oc3ccc4c(NC(=O)NCc5ccccc5)cccc4c3)c2cc1O.
What is the InChIKey of 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea?
The InChIKey is OFCJAQNQPOSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c1-34-27-16-24-22(15-25(27)32)26(12-13-29-24)35-20-10-11-21-19(14-20)8-5-9-23(21)31-28(33)30-17-18-6-3-2-4-7-18/h2-16,32H,17H2,1H3,(H2,30,31,33).
What are the key properties of 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea?
1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea has a molecular weight of 465.51 g/mol, XLogP of 6.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[6-(6-hydroxy-7-methoxyquinolin-4-yl)oxynaphthalen-1-yl]urea is sourced from PubChem (CID 143083833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).