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

C15H21N3O — CID 106290123

IUPAC1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ccnc2c(N)cccc12
InChIInChI=1S/C15H21N3O/c1-3-8-15(2,19)10-18-13-7-9-17-14-11(13)5-4-6-12(14)16/h4-7,9,19H,3,8,10,16H2,1-2H3,(H,17,18)
InChIKeyJMFLSKDHUQLIBU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.78
Rot. Bonds5

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

1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106290123) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106290123
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ccnc2c(N)cccc12
InChIInChI=1S/C15H21N3O/c1-3-8-15(2,19)10-18-13-7-9-17-14-11(13)5-4-6-12(14)16/h4-7,9,19H,3,8,10,16H2,1-2H3,(H,17,18)
InChIKeyJMFLSKDHUQLIBU-UHFFFAOYSA-N
XLogP2.78
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.78
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-Aminoquinoline
CID 11375
8-Aminoquinoline
CID 11359
8-Quinolinamine, 4-methyl-
CID 97374
4-Piperazin-1-yl-quinoline
CID 1534386
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865
Quinoline, 4-(2-diethylamino)ethylamino-
CID 10562205
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136
8-Quinolinamine, 7-methyl-
CID 231556
4-Oxo-4-(quinolin-8-ylamino)butanoic acid
CID 744791
8-Quinolinamine, 6-methyl-
CID 110237
(2S)-1-amino-3-((5-nitroquinolin-8-yl)amino)propan-2-ol
CID 6540273
1-Methyl-3-quinolin-8-ylurea
CID 250561

Frequently Asked Questions

What is the IUPAC name of 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol (CID 106290123) is 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1ccnc2c(N)cccc12.
What is the InChIKey of 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is JMFLSKDHUQLIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-15(2,19)10-18-13-7-9-17-14-11(13)5-4-6-12(14)16/h4-7,9,19H,3,8,10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol?
1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106290123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).