4-methylquinoline-6,7-diamine

C10H11N3 — CID 177181300

IUPAC4-methylquinoline-6,7-diamine
SMILESCc1ccnc2cc(N)c(N)cc12
InChIInChI=1S/C10H11N3/c1-6-2-3-13-10-5-9(12)8(11)4-7(6)10/h2-5H,11-12H2,1H3
InChIKeyPWFRDGAVFFKNLX-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.71
Rot. Bonds

About 4-methylquinoline-6,7-diamine

4-methylquinoline-6,7-diamine (PubChem CID 177181300) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-methylquinoline-6,7-diamine.

Molecular Properties

Compound Name4-methylquinoline-6,7-diamine
PubChem CID177181300
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-methylquinoline-6,7-diamine
SMILESCc1ccnc2cc(N)c(N)cc12
InChIInChI=1S/C10H11N3/c1-6-2-3-13-10-5-9(12)8(11)4-7(6)10/h2-5H,11-12H2,1H3
InChIKeyPWFRDGAVFFKNLX-UHFFFAOYSA-N
XLogP1.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylquinoline-6,7-diamine?
The IUPAC name of 4-methylquinoline-6,7-diamine (CID 177181300) is 4-methylquinoline-6,7-diamine.
What is the SMILES notation for 4-methylquinoline-6,7-diamine?
The canonical SMILES for 4-methylquinoline-6,7-diamine is Cc1ccnc2cc(N)c(N)cc12.
What is the InChIKey of 4-methylquinoline-6,7-diamine?
The InChIKey is PWFRDGAVFFKNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-6-2-3-13-10-5-9(12)8(11)4-7(6)10/h2-5H,11-12H2,1H3.
What are the key properties of 4-methylquinoline-6,7-diamine?
4-methylquinoline-6,7-diamine has a molecular weight of 173.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinoline-6,7-diamine is sourced from PubChem (CID 177181300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).