4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol

C16H22N2O — CID 133402476

IUPAC4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
SMILESCCc1cc(N(C)CCC(C)O)c2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-4-13-11-16(18(3)10-9-12(2)19)14-7-5-6-8-15(14)17-13/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyZIDAWWSVOBYEHU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.00
Rot. Bonds5

About 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol

4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol (PubChem CID 133402476) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
PubChem CID133402476
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
SMILESCCc1cc(N(C)CCC(C)O)c2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-4-13-11-16(18(3)10-9-12(2)19)14-7-5-6-8-15(14)17-13/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyZIDAWWSVOBYEHU-UHFFFAOYSA-N
XLogP3.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 133401409
2-(ethylaminomethyl)-N-methyl-N-propylquinolin-4-amine
CID 55183246
1-[methyl-(2-methylquinolin-4-yl)amino]propan-2-ol
CID 55060878
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
[4-[2-methoxyethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376401
2-(chloromethyl)-N-methyl-N-pentylquinolin-4-amine
CID 63445426
2-(chloromethyl)-N-methyl-N-(2-propan-2-yloxyethyl)quinolin-4-amine
CID 81061779
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
[4-[3-methoxypropyl(methyl)amino]quinolin-2-yl]methanol
CID 63375970
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol (CID 133402476) is 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol is CCc1cc(N(C)CCC(C)O)c2ccccc2n1.
What is the InChIKey of 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol?
The InChIKey is ZIDAWWSVOBYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-13-11-16(18(3)10-9-12(2)19)14-7-5-6-8-15(14)17-13/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol?
4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol has a molecular weight of 258.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 133402476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).