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

C16H14BrN3O — CID 106948986

IUPAC3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1cccc(Nc2ccc(N)c3cc(Br)cnc23)c1
InChIInChI=1S/C16H14BrN3O/c1-21-12-4-2-3-11(8-12)20-15-6-5-14(18)13-7-10(17)9-19-16(13)15/h2-9,20H,18H2,1H3
InChIKeyFQTITGKIXVIEAK-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.33
Rot. Bonds3

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

3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine (PubChem CID 106948986) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
PubChem CID106948986
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine
SMILESCOc1cccc(Nc2ccc(N)c3cc(Br)cnc23)c1
InChIInChI=1S/C16H14BrN3O/c1-21-12-4-2-3-11(8-12)20-15-6-5-14(18)13-7-10(17)9-19-16(13)15/h2-9,20H,18H2,1H3
InChIKeyFQTITGKIXVIEAK-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-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
3-bromo-8-N-(3,4-difluorophenyl)quinoline-5,8-diamine
CID 106948962
8-N-(3-bromo-5-methoxyphenyl)quinoline-5,8-diamine
CID 82859548
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
3-bromo-8-N-(4-fluoro-2-iodophenyl)quinoline-5,8-diamine
CID 106949496
3-bromo-8-(2-methoxyphenoxy)quinolin-5-amine
CID 106949789
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-(5-chloro-2-fluorophenyl)quinoline-5,8-diamine
CID 106949035
6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
CID 106947587
3-N-(3-methoxyphenyl)-2-methylbenzene-1,3-diamine
CID 63077298
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine (CID 106948986) is 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine is COc1cccc(Nc2ccc(N)c3cc(Br)cnc23)c1.
What is the InChIKey of 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine?
The InChIKey is FQTITGKIXVIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-21-12-4-2-3-11(8-12)20-15-6-5-14(18)13-7-10(17)9-19-16(13)15/h2-9,20H,18H2,1H3.
What are the key properties of 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine?
3-bromo-8-N-(3-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 3-bromo-8-N-(3-methoxyphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 106948986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).