(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol

C14H19N3O — CID 114982592

IUPAC(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-9(2)13(8-18)17-14-10-5-3-4-6-12(10)16-7-11(14)15/h3-7,9,13,18H,8,15H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyIGLICXAYYKTFAF-CYBMUJFWSA-N
MW245.33 g/mol
LogP2.25
Rot. Bonds4

About (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 114982592) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID114982592
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1c(N)cnc2ccccc12
InChIInChI=1S/C14H19N3O/c1-9(2)13(8-18)17-14-10-5-3-4-6-12(10)16-7-11(14)15/h3-7,9,13,18H,8,15H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyIGLICXAYYKTFAF-CYBMUJFWSA-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

Analyze (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol with MolForge

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Related Compounds

3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
2-[(3-aminoquinolin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845874
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
CID 156777884
4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
CID 162715623
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
CID 106217212
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
CID 106387738

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol (CID 114982592) is (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1c(N)cnc2ccccc12.
What is the InChIKey of (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is IGLICXAYYKTFAF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(2)13(8-18)17-14-10-5-3-4-6-12(10)16-7-11(14)15/h3-7,9,13,18H,8,15H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-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 (2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114982592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).