4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol

C18H26N2O — CID 133438117

IUPAC4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1c(C)nc2ccccc2c1NCC(C)(C)CCO
InChIInChI=1S/C18H26N2O/c1-5-14-13(2)20-16-9-7-6-8-15(16)17(14)19-12-18(3,4)10-11-21/h6-9,21H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyLXMVZIZTRXWTBH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.93
Rot. Bonds6

About 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol

4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 133438117) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID133438117
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCCc1c(C)nc2ccccc2c1NCC(C)(C)CCO
InChIInChI=1S/C18H26N2O/c1-5-14-13(2)20-16-9-7-6-8-15(16)17(14)19-12-18(3,4)10-11-21/h6-9,21H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyLXMVZIZTRXWTBH-UHFFFAOYSA-N
XLogP3.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol with MolForge

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Related Compounds

3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol
CID 103705273
1-[(3-ethyl-2-methylquinolin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 133437963
2-[3-[[(3-ethyl-2-methylquinolin-4-yl)amino]methyl]oxolan-3-yl]ethanol
CID 133438401
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
N-cyclopentyl-2-[(3-ethyl-2-methylquinolin-4-yl)amino]acetamide
CID 166202902
N-cyclobutyl-2-[(3-ethyl-2-methylquinolin-4-yl)amino]acetamide
CID 166382384
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
3-ethyl-2-methyl-N-(oxolan-3-yl)quinolin-4-amine
CID 133438561
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
6-tert-butyl-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63480956
3-ethyl-2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]quinolin-4-amine
CID 97340056

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 133438117) is 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol is CCc1c(C)nc2ccccc2c1NCC(C)(C)CCO.
What is the InChIKey of 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is LXMVZIZTRXWTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-14-13(2)20-16-9-7-6-8-15(16)17(14)19-12-18(3,4)10-11-21/h6-9,21H,5,10-12H2,1-4H3,(H,19,20).
What are the key properties of 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-methylquinolin-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 133438117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).