8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine

C17H17N3O — CID 43450177

IUPAC8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
SMILESCOc1ccc(C)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C17H17N3O/c1-11-5-8-16(21-2)15(10-11)20-14-7-6-13(18)12-4-3-9-19-17(12)14/h3-10,20H,18H2,1-2H3
InChIKeyHMZXOWFALOZUAZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.88
Rot. Bonds3

About 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine

8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine (PubChem CID 43450177) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
PubChem CID43450177
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
SMILESCOc1ccc(C)cc1Nc1ccc(N)c2cccnc12
InChIInChI=1S/C17H17N3O/c1-11-5-8-16(21-2)15(10-11)20-14-7-6-13(18)12-4-3-9-19-17(12)14/h3-10,20H,18H2,1-2H3
InChIKeyHMZXOWFALOZUAZ-UHFFFAOYSA-N
XLogP3.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.88
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

8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
8-(2-fluoro-5-methylphenoxy)quinolin-5-amine
CID 64855173
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
1-N-(2-methoxy-5-methylphenyl)naphthalene-1,2-diamine
CID 57231048
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
3-(aminomethyl)-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 82085145

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine (CID 43450177) is 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine is COc1ccc(C)cc1Nc1ccc(N)c2cccnc12.
What is the InChIKey of 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine?
The InChIKey is HMZXOWFALOZUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-5-8-16(21-2)15(10-11)20-14-7-6-13(18)12-4-3-9-19-17(12)14/h3-10,20H,18H2,1-2H3.
What are the key properties of 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine?
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine has a molecular weight of 279.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).