6-N-methoxy-6-N-methylquinoline-5,6-diamine

C11H13N3O — CID 43809762

IUPAC6-N-methoxy-6-N-methylquinoline-5,6-diamine
SMILESCON(C)c1ccc2ncccc2c1N
InChIInChI=1S/C11H13N3O/c1-14(15-2)10-6-5-9-8(11(10)12)4-3-7-13-9/h3-7H,12H2,1-2H3
InChIKeyAINGPBMJTPKQMX-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.81
Rot. Bonds2

About 6-N-methoxy-6-N-methylquinoline-5,6-diamine

6-N-methoxy-6-N-methylquinoline-5,6-diamine (PubChem CID 43809762) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-N-methoxy-6-N-methylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-methoxy-6-N-methylquinoline-5,6-diamine
PubChem CID43809762
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-N-methoxy-6-N-methylquinoline-5,6-diamine
SMILESCON(C)c1ccc2ncccc2c1N
InChIInChI=1S/C11H13N3O/c1-14(15-2)10-6-5-9-8(11(10)12)4-3-7-13-9/h3-7H,12H2,1-2H3
InChIKeyAINGPBMJTPKQMX-UHFFFAOYSA-N
XLogP1.81
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
CID 55001292
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
6-N-cyclopropylquinoline-5,6-diamine
CID 43809527
6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]quinoline-5,6-diamine
CID 62844494

Frequently Asked Questions

What is the IUPAC name of 6-N-methoxy-6-N-methylquinoline-5,6-diamine?
The IUPAC name of 6-N-methoxy-6-N-methylquinoline-5,6-diamine (CID 43809762) is 6-N-methoxy-6-N-methylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-methoxy-6-N-methylquinoline-5,6-diamine?
The canonical SMILES for 6-N-methoxy-6-N-methylquinoline-5,6-diamine is CON(C)c1ccc2ncccc2c1N.
What is the InChIKey of 6-N-methoxy-6-N-methylquinoline-5,6-diamine?
The InChIKey is AINGPBMJTPKQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14(15-2)10-6-5-9-8(11(10)12)4-3-7-13-9/h3-7H,12H2,1-2H3.
What are the key properties of 6-N-methoxy-6-N-methylquinoline-5,6-diamine?
6-N-methoxy-6-N-methylquinoline-5,6-diamine has a molecular weight of 203.25 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methoxy-6-N-methylquinoline-5,6-diamine is sourced from PubChem (CID 43809762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).