2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol

C18H24N2O2 — CID 133402118

IUPAC2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
SMILESCCc1cc(NCC(O)C2CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H24N2O2/c1-2-14-11-17(15-5-3-4-6-16(15)20-14)19-12-18(21)13-7-9-22-10-8-13/h3-6,11,13,18,21H,2,7-10,12H2,1H3,(H,19,20)
InChIKeySXSWAEPGOPNOEB-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.00
Rot. Bonds5

About 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol

2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol (PubChem CID 133402118) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
PubChem CID133402118
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
SMILESCCc1cc(NCC(O)C2CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H24N2O2/c1-2-14-11-17(15-5-3-4-6-16(15)20-14)19-12-18(21)13-7-9-22-10-8-13/h3-6,11,13,18,21H,2,7-10,12H2,1H3,(H,19,20)
InChIKeySXSWAEPGOPNOEB-UHFFFAOYSA-N
XLogP3.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylquinolin-4-yl)amino]-4-methylpentan-2-ol
CID 133402239
2-[(8-fluoro-2-methylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133394132
4-[[(2-ethylquinolin-4-yl)amino]methyl]oxane-4-carboxamide
CID 133430578
2-(cinnolin-4-ylamino)-1-cyclopropylethanol
CID 63586399
2-ethyl-N-[2-(4-methylpiperazin-1-yl)propyl]quinolin-4-amine
CID 133401112
[1-[4-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]piperidin-4-yl]methanol
CID 133400586
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076
N-(2-methylpropyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133405225
2-anilino-1-(oxolan-3-yl)ethanol
CID 82239516
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
N-(cyclopropylmethyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133441654
3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide
CID 128543542

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol (CID 133402118) is 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol is CCc1cc(NCC(O)C2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
The InChIKey is SXSWAEPGOPNOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-14-11-17(15-5-3-4-6-16(15)20-14)19-12-18(21)13-7-9-22-10-8-13/h3-6,11,13,18,21H,2,7-10,12H2,1H3,(H,19,20).
What are the key properties of 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol?
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol has a molecular weight of 300.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 133402118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).