7-N-ethylquinoline-7,8-diamine

C11H13N3 — CID 15023104

IUPAC7-N-ethylquinoline-7,8-diamine
SMILESCCNc1ccc2cccnc2c1N
InChIInChI=1S/C11H13N3/c1-2-13-9-6-5-8-4-3-7-14-11(8)10(9)12/h3-7,13H,2,12H2,1H3
InChIKeyVZLQKCRWBBPQGE-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.25
Rot. Bonds2

About 7-N-ethylquinoline-7,8-diamine

7-N-ethylquinoline-7,8-diamine (PubChem CID 15023104) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 7-N-ethylquinoline-7,8-diamine.

Molecular Properties

Compound Name7-N-ethylquinoline-7,8-diamine
PubChem CID15023104
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name7-N-ethylquinoline-7,8-diamine
SMILESCCNc1ccc2cccnc2c1N
InChIInChI=1S/C11H13N3/c1-2-13-9-6-5-8-4-3-7-14-11(8)10(9)12/h3-7,13H,2,12H2,1H3
InChIKeyVZLQKCRWBBPQGE-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethylquinoline-5,6-diamine
CID 43809532
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
benzo[h]quinolin-10-ylhydrazine
CID 126501298
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
N-ethyl-6-quinolin-8-ylpyridin-2-amine
CID 81221506

Frequently Asked Questions

What is the IUPAC name of 7-N-ethylquinoline-7,8-diamine?
The IUPAC name of 7-N-ethylquinoline-7,8-diamine (CID 15023104) is 7-N-ethylquinoline-7,8-diamine.
What is the SMILES notation for 7-N-ethylquinoline-7,8-diamine?
The canonical SMILES for 7-N-ethylquinoline-7,8-diamine is CCNc1ccc2cccnc2c1N.
What is the InChIKey of 7-N-ethylquinoline-7,8-diamine?
The InChIKey is VZLQKCRWBBPQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-13-9-6-5-8-4-3-7-14-11(8)10(9)12/h3-7,13H,2,12H2,1H3.
What are the key properties of 7-N-ethylquinoline-7,8-diamine?
7-N-ethylquinoline-7,8-diamine has a molecular weight of 187.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-ethylquinoline-7,8-diamine is sourced from PubChem (CID 15023104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).