1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol

C14H18BrN3O — CID 106949641

IUPAC1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O/c1-2-10(19)5-6-17-13-4-3-12(16)11-7-9(15)8-18-14(11)13/h3-4,7-8,10,17,19H,2,5-6,16H2,1H3
InChIKeyGBJXDEDSUJJCJG-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.15
Rot. Bonds5

About 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol

1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol (PubChem CID 106949641) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
PubChem CID106949641
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O/c1-2-10(19)5-6-17-13-4-3-12(16)11-7-9(15)8-18-14(11)13/h3-4,7-8,10,17,19H,2,5-6,16H2,1H3
InChIKeyGBJXDEDSUJJCJG-UHFFFAOYSA-N
XLogP3.15
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456
3-bromo-8-N-(3-methylsulfanylbutyl)quinoline-5,8-diamine
CID 106949636
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477
3-bromo-8-N-[2-(3-methylbutoxy)ethyl]quinoline-5,8-diamine
CID 106949268
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
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
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
3-bromo-8-N-(3-cyclopentylpropyl)quinoline-5,8-diamine
CID 106007211
3-bromo-8-N-[(2-methylcyclopropyl)methyl]quinoline-5,8-diamine
CID 106949601

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol (CID 106949641) is 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol is CCC(O)CCNc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol?
The InChIKey is GBJXDEDSUJJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-2-10(19)5-6-17-13-4-3-12(16)11-7-9(15)8-18-14(11)13/h3-4,7-8,10,17,19H,2,5-6,16H2,1H3.
What are the key properties of 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol?
1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol has a molecular weight of 324.22 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol is sourced from PubChem (CID 106949641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).