3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine

C16H15BrN4 — CID 106949300

IUPAC3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine
SMILESCc1cccc(CNc2ccc(N)c3cc(Br)cnc23)n1
InChIInChI=1S/C16H15BrN4/c1-10-3-2-4-12(21-10)9-19-15-6-5-14(18)13-7-11(17)8-20-16(13)15/h2-8,19H,9,18H2,1H3
InChIKeyBUSLLULDHQNHEZ-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.90
Rot. Bonds3

About 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine

3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine (PubChem CID 106949300) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine
PubChem CID106949300
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine
SMILESCc1cccc(CNc2ccc(N)c3cc(Br)cnc23)n1
InChIInChI=1S/C16H15BrN4/c1-10-3-2-4-12(21-10)9-19-15-6-5-14(18)13-7-11(17)8-20-16(13)15/h2-8,19H,9,18H2,1H3
InChIKeyBUSLLULDHQNHEZ-UHFFFAOYSA-N
XLogP3.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.90
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-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 106949382
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
4-bromo-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267494
3-bromo-8-N-(3-methylsulfanylbutyl)quinoline-5,8-diamine
CID 106949636
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641
3-bromo-8-N-phenylquinoline-5,8-diamine
CID 106948943
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-bromo-8-N-[2-(3-methylbutoxy)ethyl]quinoline-5,8-diamine
CID 106949268

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine (CID 106949300) is 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine is Cc1cccc(CNc2ccc(N)c3cc(Br)cnc23)n1.
What is the InChIKey of 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine?
The InChIKey is BUSLLULDHQNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-10-3-2-4-12(21-10)9-19-15-6-5-14(18)13-7-11(17)8-20-16(13)15/h2-8,19H,9,18H2,1H3.
What are the key properties of 3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine?
3-bromo-8-N-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine has a molecular weight of 343.23 g/mol, XLogP of 3.90, 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-[(6-methyl-2-pyridinyl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 106949300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).