6-N-ethyl-6-N-phenylquinoline-5,6-diamine

C17H17N3 — CID 43809497

IUPAC6-N-ethyl-6-N-phenylquinoline-5,6-diamine
SMILESCCN(c1ccccc1)c1ccc2ncccc2c1N
InChIInChI=1S/C17H17N3/c1-2-20(13-7-4-3-5-8-13)16-11-10-15-14(17(16)18)9-6-12-19-15/h3-12H,2,18H2,1H3
InChIKeyMIKGTQNWFKNOIO-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.97
Rot. Bonds3

About 6-N-ethyl-6-N-phenylquinoline-5,6-diamine

6-N-ethyl-6-N-phenylquinoline-5,6-diamine (PubChem CID 43809497) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-N-ethyl-6-N-phenylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-phenylquinoline-5,6-diamine
PubChem CID43809497
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-N-ethyl-6-N-phenylquinoline-5,6-diamine
SMILESCCN(c1ccccc1)c1ccc2ncccc2c1N
InChIInChI=1S/C17H17N3/c1-2-20(13-7-4-3-5-8-13)16-11-10-15-14(17(16)18)9-6-12-19-15/h3-12H,2,18H2,1H3
InChIKeyMIKGTQNWFKNOIO-UHFFFAOYSA-N
XLogP3.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
CID 55001292
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
5-N-ethyl-3-methyl-5-N-phenylisoquinoline-5,8-diamine
CID 102712896
6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-phenylquinoline-5,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-phenylquinoline-5,6-diamine (CID 43809497) is 6-N-ethyl-6-N-phenylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-phenylquinoline-5,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-phenylquinoline-5,6-diamine is CCN(c1ccccc1)c1ccc2ncccc2c1N.
What is the InChIKey of 6-N-ethyl-6-N-phenylquinoline-5,6-diamine?
The InChIKey is MIKGTQNWFKNOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-20(13-7-4-3-5-8-13)16-11-10-15-14(17(16)18)9-6-12-19-15/h3-12H,2,18H2,1H3.
What are the key properties of 6-N-ethyl-6-N-phenylquinoline-5,6-diamine?
6-N-ethyl-6-N-phenylquinoline-5,6-diamine has a molecular weight of 263.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-phenylquinoline-5,6-diamine is sourced from PubChem (CID 43809497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).