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

C14H19N3O2 — CID 106243201

IUPAC4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O2/c1-19-9-10(18)6-8-16-13-5-4-12(15)11-3-2-7-17-14(11)13/h2-5,7,10,16,18H,6,8-9,15H2,1H3
InChIKeyOFIFXOXNHHTQOV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.63
Rot. Bonds6

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

4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol (PubChem CID 106243201) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
PubChem CID106243201
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNc1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O2/c1-19-9-10(18)6-8-16-13-5-4-12(15)11-3-2-7-17-14(11)13/h2-5,7,10,16,18H,6,8-9,15H2,1H3
InChIKeyOFIFXOXNHHTQOV-UHFFFAOYSA-N
XLogP1.63
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(5-aminoquinolin-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

4-[(5-amino-3-bromoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243456
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
4-(2-amino-5-methylanilino)-1-methoxybutan-2-ol
CID 106243145
8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
4-[(5-chloroquinolin-8-yl)methylamino]-1-methoxybutan-2-ol
CID 103876224

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol (CID 106243201) is 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol is COCC(O)CCNc1ccc(N)c2cccnc12.
What is the InChIKey of 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
The InChIKey is OFIFXOXNHHTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-9-10(18)6-8-16-13-5-4-12(15)11-3-2-7-17-14(11)13/h2-5,7,10,16,18H,6,8-9,15H2,1H3.
What are the key properties of 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol?
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 106243201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).