6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine

C16H15N3O — CID 106947587

IUPAC6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
SMILESCOc1cccc(Nc2ccc3cnccc3c2N)c1
InChIInChI=1S/C16H15N3O/c1-20-13-4-2-3-12(9-13)19-15-6-5-11-10-18-8-7-14(11)16(15)17/h2-10,19H,17H2,1H3
InChIKeyXGFZXSJZIRZONM-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.57
Rot. Bonds3

About 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine

6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine (PubChem CID 106947587) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
PubChem CID106947587
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
SMILESCOc1cccc(Nc2ccc3cnccc3c2N)c1
InChIInChI=1S/C16H15N3O/c1-20-13-4-2-3-12(9-13)19-15-6-5-11-10-18-8-7-14(11)16(15)17/h2-10,19H,17H2,1H3
InChIKeyXGFZXSJZIRZONM-UHFFFAOYSA-N
XLogP3.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methoxyphenyl)naphthalene-1,2-diamine
CID 86689993
6-N-(3-bromophenyl)isoquinoline-5,6-diamine
CID 106947573
6-N-(3-ethylphenyl)isoquinoline-5,6-diamine
CID 106947586
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
6-N-(3,5-dichlorophenyl)isoquinoline-5,6-diamine
CID 106947554
6-N-(4-chloro-3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947792
6-N-(2,6-difluorophenyl)isoquinoline-5,6-diamine
CID 106947600
6-N-(4-fluoro-2-methylphenyl)isoquinoline-5,6-diamine
CID 106947584
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
6-N-(2-propan-2-ylphenyl)isoquinoline-5,6-diamine
CID 106947549
6-N-(4-bromo-5-fluoro-2-methylphenyl)isoquinoline-5,6-diamine
CID 106948458

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine?
The IUPAC name of 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine (CID 106947587) is 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine.
What is the SMILES notation for 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine?
The canonical SMILES for 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine is COc1cccc(Nc2ccc3cnccc3c2N)c1.
What is the InChIKey of 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine?
The InChIKey is XGFZXSJZIRZONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-13-4-2-3-12(9-13)19-15-6-5-11-10-18-8-7-14(11)16(15)17/h2-10,19H,17H2,1H3.
What are the key properties of 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine?
6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine has a molecular weight of 265.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine is sourced from PubChem (CID 106947587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).