8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine

C16H14BrN3O — CID 82859548

IUPAC8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1cc(Br)cc(Nc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C16H14BrN3O/c1-21-12-8-10(17)7-11(9-12)20-15-5-4-14(18)13-3-2-6-19-16(13)15/h2-9,20H,18H2,1H3
InChIKeyLBBTWLCBJWOATB-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.33
Rot. Bonds3

About 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine

8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine (PubChem CID 82859548) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
PubChem CID82859548
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1cc(Br)cc(Nc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C16H14BrN3O/c1-21-12-8-10(17)7-11(9-12)20-15-5-4-14(18)13-3-2-6-19-16(13)15/h2-9,20H,18H2,1H3
InChIKeyLBBTWLCBJWOATB-UHFFFAOYSA-N
XLogP4.33
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
CID 106948986
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
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-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
5-methoxy-3-N-quinolin-8-ylbenzene-1,3-diamine
CID 80723302
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine (CID 82859548) is 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine is COc1cc(Br)cc(Nc2ccc(N)c3cccnc23)c1.
What is the InChIKey of 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine?
The InChIKey is LBBTWLCBJWOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-12-8-10(17)7-11(9-12)20-15-5-4-14(18)13-3-2-6-19-16(13)15/h2-9,20H,18H2,1H3.
What are the key properties of 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine?
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine has a molecular weight of 344.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 82859548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).