4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine

C16H14N4O — CID 134913471

IUPAC4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
SMILESCOc1ccc(/N=N/c2c(N)ncc3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-21-13-8-6-12(7-9-13)19-20-15-14-5-3-2-4-11(14)10-18-16(15)17/h2-10H,1H3,(H2,17,18)/b20-19+
InChIKeyULDWJOKBEVLGIF-FMQUCBEESA-N
MW278.31 g/mol
LogP4.24
Rot. Bonds3

About 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine

4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine (PubChem CID 134913471) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
PubChem CID134913471
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
SMILESCOc1ccc(/N=N/c2c(N)ncc3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-21-13-8-6-12(7-9-13)19-20-15-14-5-3-2-4-11(14)10-18-16(15)17/h2-10H,1H3,(H2,17,18)/b20-19+
InChIKeyULDWJOKBEVLGIF-FMQUCBEESA-N
XLogP4.24
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]diazenyl]isoquinolin-3-amine
CID 118687503
6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine
CID 118687531
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
CID 13492990
(4-methoxyphenyl)-pyrazin-2-yldiazene
CID 13015878
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
(1-bromonaphthalen-2-yl)-(4-methoxyphenyl)diazene
CID 572351
[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate
CID 6431724
ethane;4-methylisoquinolin-3-amine
CID 145004950
2-amino-4-(4-methoxyphenyl)-10-[(4-methylphenyl)diazenyl]-4H-benzo[g]chromene-3-carbonitrile
CID 138454648
(4-chlorophenyl)-(2-methoxynaphthalen-1-yl)diazene
CID 102056826

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine?
The IUPAC name of 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine (CID 134913471) is 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine.
What is the SMILES notation for 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine?
The canonical SMILES for 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine is COc1ccc(/N=N/c2c(N)ncc3ccccc23)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine?
The InChIKey is ULDWJOKBEVLGIF-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O/c1-21-13-8-6-12(7-9-13)19-20-15-14-5-3-2-4-11(14)10-18-16(15)17/h2-10H,1H3,(H2,17,18)/b20-19+.
What are the key properties of 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine?
4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine has a molecular weight of 278.31 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine is sourced from PubChem (CID 134913471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).