6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine

C17H16BrN3 — CID 43621145

IUPAC6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
SMILESCCN(c1ccccc1)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN3/c1-2-21(13-6-4-3-5-7-13)17-14-10-12(18)8-9-16(14)20-11-15(17)19/h3-11H,2,19H2,1H3
InChIKeyCVXUPFDDHPADCR-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.74
Rot. Bonds3

About 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine

6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine (PubChem CID 43621145) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
PubChem CID43621145
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine
SMILESCCN(c1ccccc1)c1c(N)cnc2ccc(Br)cc12
InChIInChI=1S/C17H16BrN3/c1-2-21(13-6-4-3-5-7-13)17-14-10-12(18)8-9-16(14)20-11-15(17)19/h3-11H,2,19H2,1H3
InChIKeyCVXUPFDDHPADCR-UHFFFAOYSA-N
XLogP4.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine (CID 43621145) is 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine is CCN(c1ccccc1)c1c(N)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine?
The InChIKey is CVXUPFDDHPADCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-2-21(13-6-4-3-5-7-13)17-14-10-12(18)8-9-16(14)20-11-15(17)19/h3-11H,2,19H2,1H3.
What are the key properties of 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine?
6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine has a molecular weight of 342.24 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-ethyl-4-N-phenylquinoline-3,4-diamine is sourced from PubChem (CID 43621145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).