5-N-methylquinoline-5,7-diamine

C10H11N3 — CID 141364449

IUPAC5-N-methylquinoline-5,7-diamine
SMILESCNc1cc(N)cc2ncccc12
InChIInChI=1S/C10H11N3/c1-12-9-5-7(11)6-10-8(9)3-2-4-13-10/h2-6,12H,11H2,1H3
InChIKeySODIATLSNPRXFZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.86
Rot. Bonds1

About 5-N-methylquinoline-5,7-diamine

5-N-methylquinoline-5,7-diamine (PubChem CID 141364449) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-N-methylquinoline-5,7-diamine.

Molecular Properties

Compound Name5-N-methylquinoline-5,7-diamine
PubChem CID141364449
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5-N-methylquinoline-5,7-diamine
SMILESCNc1cc(N)cc2ncccc12
InChIInChI=1S/C10H11N3/c1-12-9-5-7(11)6-10-8(9)3-2-4-13-10/h2-6,12H,11H2,1H3
InChIKeySODIATLSNPRXFZ-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.86
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

5-N-methylquinoline-5,6-diamine
CID 154402299
4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
CID 103000246
5,6,7-trifluoroquinoline
CID 91426600
2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
CID 43148682
7-bromo-5-methylquinolin-6-amine
CID 167472712
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338
4-N,7-N,7-N-trimethylquinoline-4,7-diamine
CID 14579986
7-(furan-2-yl)-N-methylquinolin-4-amine
CID 70881123
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
6-N-ethylquinoline-5,6-diamine
CID 43809532
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093

Frequently Asked Questions

What is the IUPAC name of 5-N-methylquinoline-5,7-diamine?
The IUPAC name of 5-N-methylquinoline-5,7-diamine (CID 141364449) is 5-N-methylquinoline-5,7-diamine.
What is the SMILES notation for 5-N-methylquinoline-5,7-diamine?
The canonical SMILES for 5-N-methylquinoline-5,7-diamine is CNc1cc(N)cc2ncccc12.
What is the InChIKey of 5-N-methylquinoline-5,7-diamine?
The InChIKey is SODIATLSNPRXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-12-9-5-7(11)6-10-8(9)3-2-4-13-10/h2-6,12H,11H2,1H3.
What are the key properties of 5-N-methylquinoline-5,7-diamine?
5-N-methylquinoline-5,7-diamine has a molecular weight of 173.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methylquinoline-5,7-diamine is sourced from PubChem (CID 141364449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).