8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine

C16H14BrN3 — CID 43450156

IUPAC8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
SMILESCc1ccc(Nc2ccc(N)c3cccnc23)c(Br)c1
InChIInChI=1S/C16H14BrN3/c1-10-4-6-14(12(17)9-10)20-15-7-5-13(18)11-3-2-8-19-16(11)15/h2-9,20H,18H2,1H3
InChIKeyYDEAOBOAMFRRTN-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.63
Rot. Bonds2

About 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine

8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine (PubChem CID 43450156) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
PubChem CID43450156
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
SMILESCc1ccc(Nc2ccc(N)c3cccnc23)c(Br)c1
InChIInChI=1S/C16H14BrN3/c1-10-4-6-14(12(17)9-10)20-15-7-5-13(18)11-3-2-8-19-16(11)15/h2-9,20H,18H2,1H3
InChIKeyYDEAOBOAMFRRTN-UHFFFAOYSA-N
XLogP4.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.63
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

8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
6-N-(2-bromo-4-methylphenyl)quinoline-5,6-diamine
CID 43809587
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine (CID 43450156) is 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine is Cc1ccc(Nc2ccc(N)c3cccnc23)c(Br)c1.
What is the InChIKey of 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine?
The InChIKey is YDEAOBOAMFRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-10-4-6-14(12(17)9-10)20-15-7-5-13(18)11-3-2-8-19-16(11)15/h2-9,20H,18H2,1H3.
What are the key properties of 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine?
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine has a molecular weight of 328.21 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).