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

C14H16BrN3 — CID 106949601

IUPAC3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
SMILESCC1CC1CNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H16BrN3/c1-8-4-9(8)6-17-13-3-2-12(16)11-5-10(15)7-18-14(11)13/h2-3,5,7-9,17H,4,6,16H2,1H3
InChIKeyKNLFTNWLUKABQL-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.65
Rot. Bonds3

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

3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine (PubChem CID 106949601) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
PubChem CID106949601
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
SMILESCC1CC1CNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H16BrN3/c1-8-4-9(8)6-17-13-3-2-12(16)11-5-10(15)7-18-14(11)13/h2-3,5,7-9,17H,4,6,16H2,1H3
InChIKeyKNLFTNWLUKABQL-UHFFFAOYSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.65
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

7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
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
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-bromo-8-N-(2-methylcyclohexyl)quinoline-5,8-diamine
CID 106948924
3-bromo-8-N-(3-cyclopentylpropyl)quinoline-5,8-diamine
CID 106007211
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
2-[(5-amino-3-bromoquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 106949064
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-(3-methylsulfanylbutyl)quinoline-5,8-diamine
CID 106949636

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine (CID 106949601) is 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine is CC1CC1CNc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine?
The InChIKey is KNLFTNWLUKABQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8-4-9(8)6-17-13-3-2-12(16)11-5-10(15)7-18-14(11)13/h2-3,5,7-9,17H,4,6,16H2,1H3.
What are the key properties of 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine?
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine is sourced from PubChem (CID 106949601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).