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

C14H19N3O — CID 65103110

IUPAC1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O/c1-3-14(2,18)9-17-12-7-6-11(15)10-5-4-8-16-13(10)12/h4-8,17-18H,3,9,15H2,1-2H3
InChIKeyFYHZKSRCTYXRGF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.39
Rot. Bonds4

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

1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol (PubChem CID 65103110) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
PubChem CID65103110
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O/c1-3-14(2,18)9-17-12-7-6-11(15)10-5-4-8-16-13(10)12/h4-8,17-18H,3,9,15H2,1-2H3
InChIKeyFYHZKSRCTYXRGF-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.39
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

3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
ethyl 2-[(5-aminoquinolin-8-yl)amino]acetate
CID 54860612
2-[(5-aminoquinolin-8-yl)amino]ethanol
CID 43450143
1-[(3-amino-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 65103157
8-N-(2-ethoxyethyl)quinoline-5,8-diamine
CID 43591091
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
2-[(5-aminoquinolin-8-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845509
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol (CID 65103110) is 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1ccc(N)c2cccnc12.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol?
The InChIKey is FYHZKSRCTYXRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-14(2,18)9-17-12-7-6-11(15)10-5-4-8-16-13(10)12/h4-8,17-18H,3,9,15H2,1-2H3.
What are the key properties of 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol?
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol has a molecular weight of 245.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65103110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).