3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol

C16H23N3O — CID 106348264

IUPAC3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1cc(NC(CCO)C(C)C)c2cc(N)ccc2n1
InChIInChI=1S/C16H23N3O/c1-10(2)14(6-7-20)19-16-8-11(3)18-15-5-4-12(17)9-13(15)16/h4-5,8-10,14,20H,6-7,17H2,1-3H3,(H,18,19)
InChIKeyAGQCUEPBANJULB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.94
Rot. Bonds5

About 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol

3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106348264) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106348264
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol
SMILESCc1cc(NC(CCO)C(C)C)c2cc(N)ccc2n1
InChIInChI=1S/C16H23N3O/c1-10(2)14(6-7-20)19-16-8-11(3)18-15-5-4-12(17)9-13(15)16/h4-5,8-10,14,20H,6-7,17H2,1-3H3,(H,18,19)
InChIKeyAGQCUEPBANJULB-UHFFFAOYSA-N
XLogP2.94
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

6-amino-2-[(1-hydroxy-4-methylpentan-3-yl)amino]-3H-quinazolin-4-one
CID 136784856
4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
3-[(7-aminoquinazolin-4-yl)amino]-4-methylpentan-1-ol
CID 106348202
4-[(1-hydroxy-4-methylpentan-3-yl)amino]quinoline-2-carboxylic acid
CID 106350345
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
CID 22417903
2-[(6-amino-2-methylquinolin-4-yl)-methylamino]propan-1-ol
CID 113425931
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
2-[(6-fluoro-2-methylquinolin-4-yl)amino]propane-1,3-diol
CID 133368202
(2S)-2-(4-amino-2-chloroanilino)-3-methylbutan-1-ol
CID 79248045
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
2-methyl-4-methylsulfanylquinolin-6-amine
CID 18007705
2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
CID 107294982

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol (CID 106348264) is 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol is Cc1cc(NC(CCO)C(C)C)c2cc(N)ccc2n1.
What is the InChIKey of 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is AGQCUEPBANJULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)14(6-7-20)19-16-8-11(3)18-15-5-4-12(17)9-13(15)16/h4-5,8-10,14,20H,6-7,17H2,1-3H3,(H,18,19).
What are the key properties of 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol?
3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-methylquinolin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).