5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride

C20H31ClN2O3 — CID 3040193

IUPAC5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCCN1C(=O)CCc2c(OCC(O)CNC3CCCCC3)cccc21.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-2-22-18-9-6-10-19(17(18)11-12-20(22)24)25-14-16(23)13-21-15-7-4-3-5-8-15;/h6,9-10,15-16,21,23H,2-5,7-8,11-14H2,1H3;1H
InChIKeyAEEQDQWKYNMMNF-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.07
Rot. Bonds7

About 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride

5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride (PubChem CID 3040193) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride
PubChem CID3040193
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride
SMILESCCN1C(=O)CCc2c(OCC(O)CNC3CCCCC3)cccc21.Cl
InChIInChI=1S/C20H30N2O3.ClH/c1-2-22-18-9-6-10-19(17(18)11-12-20(22)24)25-14-16(23)13-21-15-7-4-3-5-8-15;/h6,9-10,15-16,21,23H,2-5,7-8,11-14H2,1H3;1H
InChIKeyAEEQDQWKYNMMNF-UHFFFAOYSA-N
XLogP3.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride?
The IUPAC name of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride (CID 3040193) is 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride.
What is the SMILES notation for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride?
The canonical SMILES for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride is CCN1C(=O)CCc2c(OCC(O)CNC3CCCCC3)cccc21.Cl.
What is the InChIKey of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride?
The InChIKey is AEEQDQWKYNMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.ClH/c1-2-22-18-9-6-10-19(17(18)11-12-20(22)24)25-14-16(23)13-21-15-7-4-3-5-8-15;/h6,9-10,15-16,21,23H,2-5,7-8,11-14H2,1H3;1H.
What are the key properties of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride?
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-1-ethyl-3,4-dihydroquinolin-2-one;hydrochloride is sourced from PubChem (CID 3040193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).