2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol

C17H24N2O — CID 133388865

IUPAC2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNc1ccnc2c(C)cccc12
InChIInChI=1S/C17H24N2O/c1-5-13(3)17(4,20)11-19-15-9-10-18-16-12(2)7-6-8-14(15)16/h6-10,13,20H,5,11H2,1-4H3,(H,18,19)
InChIKeyOVMKDOMAVOTWEB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.75
Rot. Bonds5

About 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol

2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol (PubChem CID 133388865) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol
PubChem CID133388865
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNc1ccnc2c(C)cccc12
InChIInChI=1S/C17H24N2O/c1-5-13(3)17(4,20)11-19-15-9-10-18-16-12(2)7-6-8-14(15)16/h6-10,13,20H,5,11H2,1-4H3,(H,18,19)
InChIKeyOVMKDOMAVOTWEB-UHFFFAOYSA-N
XLogP3.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
ethyl 4-[(8-methylquinolin-4-yl)amino]pentanoate
CID 133407061
8-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]quinolin-4-amine
CID 166198008
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
1-[(8-aminoquinolin-4-yl)amino]-2-methylpentan-2-ol
CID 106290123
N-[(1,5-dimethylpyrazol-4-yl)methyl]-8-methylquinolin-4-amine
CID 133405681
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
2-[2-methoxy-5-[[(8-methylquinolin-4-yl)amino]methyl]phenoxy]butanenitrile
CID 133388932

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol (CID 133388865) is 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol is CCC(C)C(C)(O)CNc1ccnc2c(C)cccc12.
What is the InChIKey of 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol?
The InChIKey is OVMKDOMAVOTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-13(3)17(4,20)11-19-15-9-10-18-16-12(2)7-6-8-14(15)16/h6-10,13,20H,5,11H2,1-4H3,(H,18,19).
What are the key properties of 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol?
2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(8-methylquinolin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 133388865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).