6,7-dichloroquinoline-3,4-diamine

C9H7Cl2N3 — CID 14232999

IUPAC6,7-dichloroquinoline-3,4-diamine
SMILESNc1cnc2cc(Cl)c(Cl)cc2c1N
InChIInChI=1S/C9H7Cl2N3/c10-5-1-4-8(2-6(5)11)14-3-7(12)9(4)13/h1-3H,12H2,(H2,13,14)
InChIKeyALNDETFTCBCAOC-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.71
Rot. Bonds

About 6,7-dichloroquinoline-3,4-diamine

6,7-dichloroquinoline-3,4-diamine (PubChem CID 14232999) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 6,7-dichloroquinoline-3,4-diamine.

Molecular Properties

Compound Name6,7-dichloroquinoline-3,4-diamine
PubChem CID14232999
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name6,7-dichloroquinoline-3,4-diamine
SMILESNc1cnc2cc(Cl)c(Cl)cc2c1N
InChIInChI=1S/C9H7Cl2N3/c10-5-1-4-8(2-6(5)11)14-3-7(12)9(4)13/h1-3H,12H2,(H2,13,14)
InChIKeyALNDETFTCBCAOC-UHFFFAOYSA-N
XLogP2.71
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloroquinoline-3,4-diamine?
The IUPAC name of 6,7-dichloroquinoline-3,4-diamine (CID 14232999) is 6,7-dichloroquinoline-3,4-diamine.
What is the SMILES notation for 6,7-dichloroquinoline-3,4-diamine?
The canonical SMILES for 6,7-dichloroquinoline-3,4-diamine is Nc1cnc2cc(Cl)c(Cl)cc2c1N.
What is the InChIKey of 6,7-dichloroquinoline-3,4-diamine?
The InChIKey is ALNDETFTCBCAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-5-1-4-8(2-6(5)11)14-3-7(12)9(4)13/h1-3H,12H2,(H2,13,14).
What are the key properties of 6,7-dichloroquinoline-3,4-diamine?
6,7-dichloroquinoline-3,4-diamine has a molecular weight of 228.08 g/mol, XLogP of 2.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloroquinoline-3,4-diamine is sourced from PubChem (CID 14232999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).