3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine

C17H24BrN3 — CID 106949703

IUPAC3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
SMILESCC(C)C(CNc1ccc(N)c2cc(Br)cnc12)C(C)C
InChIInChI=1S/C17H24BrN3/c1-10(2)14(11(3)4)9-20-16-6-5-15(19)13-7-12(18)8-21-17(13)16/h5-8,10-11,14,20H,9,19H2,1-4H3
InChIKeyHXIWEIFKSCZVRZ-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.92
Rot. Bonds5

About 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine

3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine (PubChem CID 106949703) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
PubChem CID106949703
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
SMILESCC(C)C(CNc1ccc(N)c2cc(Br)cnc12)C(C)C
InChIInChI=1S/C17H24BrN3/c1-10(2)14(11(3)4)9-20-16-6-5-15(19)13-7-12(18)8-21-17(13)16/h5-8,10-11,14,20H,9,19H2,1-4H3
InChIKeyHXIWEIFKSCZVRZ-UHFFFAOYSA-N
XLogP4.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.92
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

3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477
3-bromo-8-N-(3-methylsulfanylbutyl)quinoline-5,8-diamine
CID 106949636
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-[2-(3-methylbutoxy)ethyl]quinoline-5,8-diamine
CID 106949268
3-bromo-8-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-5,8-diamine
CID 106036709
3-bromo-8-N-pentan-2-ylquinoline-5,8-diamine
CID 106948910
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601
3-bromo-8-N-(1-methylsulfonylpropan-2-yl)quinoline-5,8-diamine
CID 106949431
3-bromo-8-N-(3,5-dimethylphenyl)quinoline-5,8-diamine
CID 106948978
3-[(5-amino-3-bromoquinolin-8-yl)amino]butanamide
CID 106949644
4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine?
The IUPAC name of 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine (CID 106949703) is 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine.
What is the SMILES notation for 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine?
The canonical SMILES for 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine is CC(C)C(CNc1ccc(N)c2cc(Br)cnc12)C(C)C.
What is the InChIKey of 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine?
The InChIKey is HXIWEIFKSCZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-10(2)14(11(3)4)9-20-16-6-5-15(19)13-7-12(18)8-21-17(13)16/h5-8,10-11,14,20H,9,19H2,1-4H3.
What are the key properties of 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine?
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine has a molecular weight of 350.30 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine is sourced from PubChem (CID 106949703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).