3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol

C14H19N3O — CID 103001581

IUPAC3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccnc2cc(N)ccc12
InChIInChI=1S/C14H19N3O/c1-14(2,9-18)8-17-12-5-6-16-13-7-10(15)3-4-11(12)13/h3-7,18H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyLMRUQWGVLPXCLF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.25
Rot. Bonds4

About 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 103001581) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID103001581
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1ccnc2cc(N)ccc12
InChIInChI=1S/C14H19N3O/c1-14(2,9-18)8-17-12-5-6-16-13-7-10(15)3-4-11(12)13/h3-7,18H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyLMRUQWGVLPXCLF-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-N-(2,4,4-trimethylpentan-2-yl)quinoline-4,7-diamine
CID 103000881
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
3-(4-amino-2-methylanilino)-2,2-dimethylpropan-1-ol
CID 23104306
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936
2-[(7-aminoquinolin-4-yl)amino]-1-cyclopropylethanol
CID 103001162
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
CID 165134506
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4,7-diamine
CID 103000573

Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 103001581) is 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1ccnc2cc(N)ccc12.
What is the InChIKey of 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is LMRUQWGVLPXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,9-18)8-17-12-5-6-16-13-7-10(15)3-4-11(12)13/h3-7,18H,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 103001581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).