[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol

C16H22N2O2 — CID 82951995

IUPAC[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol
SMILESCOCCN(c1nc2ccccc2cc1CO)C(C)C
InChIInChI=1S/C16H22N2O2/c1-12(2)18(8-9-20-3)16-14(11-19)10-13-6-4-5-7-15(13)17-16/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyLHOSYNZBCTXPBY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.59
Rot. Bonds6

About [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol

[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol (PubChem CID 82951995) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol
PubChem CID82951995
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol
SMILESCOCCN(c1nc2ccccc2cc1CO)C(C)C
InChIInChI=1S/C16H22N2O2/c1-12(2)18(8-9-20-3)16-14(11-19)10-13-6-4-5-7-15(13)17-16/h4-7,10,12,19H,8-9,11H2,1-3H3
InChIKeyLHOSYNZBCTXPBY-UHFFFAOYSA-N
XLogP2.59
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol?
The IUPAC name of [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol (CID 82951995) is [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol?
The canonical SMILES for [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol is COCCN(c1nc2ccccc2cc1CO)C(C)C.
What is the InChIKey of [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol?
The InChIKey is LHOSYNZBCTXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)18(8-9-20-3)16-14(11-19)10-13-6-4-5-7-15(13)17-16/h4-7,10,12,19H,8-9,11H2,1-3H3.
What are the key properties of [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol?
[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol has a molecular weight of 274.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol is sourced from PubChem (CID 82951995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).