2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol

C17H17N3O — CID 43498854

IUPAC2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
SMILESNc1ccc(NCC(O)c2ccccc2)c2ncccc12
InChIInChI=1S/C17H17N3O/c18-14-8-9-15(17-13(14)7-4-10-19-17)20-11-16(21)12-5-2-1-3-6-12/h1-10,16,20-21H,11,18H2
InChIKeyZKLIZFFENUFKOX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.96
Rot. Bonds4

About 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol

2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol (PubChem CID 43498854) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
PubChem CID43498854
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
SMILESNc1ccc(NCC(O)c2ccccc2)c2ncccc12
InChIInChI=1S/C17H17N3O/c18-14-8-9-15(17-13(14)7-4-10-19-17)20-11-16(21)12-5-2-1-3-6-12/h1-10,16,20-21H,11,18H2
InChIKeyZKLIZFFENUFKOX-UHFFFAOYSA-N
XLogP2.96
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.96
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

8-N-(2-phenylpropyl)quinoline-5,8-diamine
CID 104591216
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
4-[(5-aminoquinolin-8-yl)amino]-1-methoxybutan-2-ol
CID 106243201
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
2-(2-amino-4-bromoanilino)-1-phenylethanol
CID 43498872
2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845509
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 43382933
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol (CID 43498854) is 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol is Nc1ccc(NCC(O)c2ccccc2)c2ncccc12.
What is the InChIKey of 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol?
The InChIKey is ZKLIZFFENUFKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-14-8-9-15(17-13(14)7-4-10-19-17)20-11-16(21)12-5-2-1-3-6-12/h1-10,16,20-21H,11,18H2.
What are the key properties of 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol?
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol has a molecular weight of 279.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol is sourced from PubChem (CID 43498854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).