4-N-(2-ethoxyphenyl)quinoline-4,7-diamine

C17H17N3O — CID 103000246

IUPAC4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
SMILESCCOc1ccccc1Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H17N3O/c1-2-21-17-6-4-3-5-15(17)20-14-9-10-19-16-11-12(18)7-8-13(14)16/h3-11H,2,18H2,1H3,(H,19,20)
InChIKeyPLZDPFZANPLNFQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.96
Rot. Bonds4

About 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine

4-N-(2-ethoxyphenyl)quinoline-4,7-diamine (PubChem CID 103000246) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
PubChem CID103000246
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
SMILESCCOc1ccccc1Nc1ccnc2cc(N)ccc12
InChIInChI=1S/C17H17N3O/c1-2-21-17-6-4-3-5-15(17)20-14-9-10-19-16-11-12(18)7-8-13(14)16/h3-11H,2,18H2,1H3,(H,19,20)
InChIKeyPLZDPFZANPLNFQ-UHFFFAOYSA-N
XLogP3.96
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.96
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

4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
4-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
CID 103000881
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
propyl 5-amino-2-(2-ethoxyanilino)benzoate
CID 100648721
4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
CID 65343297
1-N-(2-ethoxyphenyl)-4-iodobenzene-1,2-diamine
CID 66065259
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine (CID 103000246) is 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine is CCOc1ccccc1Nc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine?
The InChIKey is PLZDPFZANPLNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-21-17-6-4-3-5-15(17)20-14-9-10-19-16-11-12(18)7-8-13(14)16/h3-11H,2,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine?
4-N-(2-ethoxyphenyl)quinoline-4,7-diamine has a molecular weight of 279.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).