6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine

C27H22N4O3 — CID 11857506

IUPAC6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine
SMILESCOc1cc2nccc(Oc3ccc(-c4ccc(Nc5ccccc5)nn4)cc3)c2cc1OC
InChIInChI=1S/C27H22N4O3/c1-32-25-16-21-23(17-26(25)33-2)28-15-14-24(21)34-20-10-8-18(9-11-20)22-12-13-27(31-30-22)29-19-6-4-3-5-7-19/h3-17H,1-2H3,(H,29,31)
InChIKeyFOIXQIWEHZXQNC-UHFFFAOYSA-N
MW450.50 g/mol
LogP6.24
Rot. Bonds7

About 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine

6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine (PubChem CID 11857506) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine
PubChem CID11857506
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine
SMILESCOc1cc2nccc(Oc3ccc(-c4ccc(Nc5ccccc5)nn4)cc3)c2cc1OC
InChIInChI=1S/C27H22N4O3/c1-32-25-16-21-23(17-26(25)33-2)28-15-14-24(21)34-20-10-8-18(9-11-20)22-12-13-27(31-30-22)29-19-6-4-3-5-7-19/h3-17H,1-2H3,(H,29,31)
InChIKeyFOIXQIWEHZXQNC-UHFFFAOYSA-N
XLogP6.24
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
4-[4-(6-anilinopyridazin-3-yl)-2-fluorophenoxy]-6-methoxyquinolin-7-ol
CID 143237170
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide
CID 24966402
7-iodo-6-methoxy-4-phenoxyquinoline
CID 90048384
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[(2-methoxyphenyl)carbamoyl]urea
CID 22935499
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine?
The IUPAC name of 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine (CID 11857506) is 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine?
The canonical SMILES for 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine is COc1cc2nccc(Oc3ccc(-c4ccc(Nc5ccccc5)nn4)cc3)c2cc1OC.
What is the InChIKey of 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine?
The InChIKey is FOIXQIWEHZXQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c1-32-25-16-21-23(17-26(25)33-2)28-15-14-24(21)34-20-10-8-18(9-11-20)22-12-13-27(31-30-22)29-19-6-4-3-5-7-19/h3-17H,1-2H3,(H,29,31).
What are the key properties of 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine?
6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine has a molecular weight of 450.50 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-phenylpyridazin-3-amine is sourced from PubChem (CID 11857506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).