4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol

C14H18BrN3O2 — CID 106243456

IUPAC4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O2/c1-20-8-10(19)4-5-17-13-3-2-12(16)11-6-9(15)7-18-14(11)13/h2-3,6-7,10,17,19H,4-5,8,16H2,1H3
InChIKeyASDYDVWOJBBHGU-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.39
Rot. Bonds6

About 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol

4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106243456) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
PubChem CID106243456
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C14H18BrN3O2/c1-20-8-10(19)4-5-17-13-3-2-12(16)11-6-9(15)7-18-14(11)13/h2-3,6-7,10,17,19H,4-5,8,16H2,1H3
InChIKeyASDYDVWOJBBHGU-UHFFFAOYSA-N
XLogP2.39
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-amino-3-bromoquinolin-8-yl)amino]pentan-3-ol
CID 106949641
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
3-bromo-8-N-[2-(3-methylbutoxy)ethyl]quinoline-5,8-diamine
CID 106949268
3-bromo-8-N-(3-methylsulfanylbutyl)quinoline-5,8-diamine
CID 106949636
3-[(5-amino-3-bromoquinolin-8-yl)amino]propane-1,2-diol
CID 106949477
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-8-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-5,8-diamine
CID 106036709
3-bromo-8-N-(2-cyclopentyloxyethyl)quinoline-5,8-diamine
CID 106949384
3-bromo-8-N-(3-methyl-2-propan-2-ylbutyl)quinoline-5,8-diamine
CID 106949703
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
5-bromo-2-[[(3R)-3-hydroxy-4-methoxybutyl]amino]benzonitrile
CID 97350233

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol (CID 106243456) is 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is ASDYDVWOJBBHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-20-8-10(19)4-5-17-13-3-2-12(16)11-6-9(15)7-18-14(11)13/h2-3,6-7,10,17,19H,4-5,8,16H2,1H3.
What are the key properties of 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 340.22 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106243456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).