5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one

C21H30N2O5 — CID 20570418

IUPAC5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)COc1ccc(OCC(O)CNC2CCCCC2)c2c1NC(=O)CC2
InChIInChI=1S/C21H30N2O5/c1-14(24)12-27-19-9-8-18(17-7-10-20(26)23-21(17)19)28-13-16(25)11-22-15-5-3-2-4-6-15/h8-9,15-16,22,25H,2-7,10-13H2,1H3,(H,23,26)
InChIKeyUPXONVWKQHUANP-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.20
Rot. Bonds9

About 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one

5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 20570418) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID20570418
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)COc1ccc(OCC(O)CNC2CCCCC2)c2c1NC(=O)CC2
InChIInChI=1S/C21H30N2O5/c1-14(24)12-27-19-9-8-18(17-7-10-20(26)23-21(17)19)28-13-16(25)11-22-15-5-3-2-4-6-15/h8-9,15-16,22,25H,2-7,10-13H2,1H3,(H,23,26)
InChIKeyUPXONVWKQHUANP-UHFFFAOYSA-N
XLogP2.20
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 14750939
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 3040189
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-8-(2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20570364
1-[2-[(2S)-3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 1248675
8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20570433
5-[[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86584555
4-[[5-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]oxy]butanamide
CID 20570412
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
5-[3-(benzhydrylamino)-2-hydroxypropoxy]-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
CID 12925490
N-[5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]-2,2,2-trifluoroacetamide
CID 21326315
5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 20570350

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 20570418) is 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one is CC(=O)COc1ccc(OCC(O)CNC2CCCCC2)c2c1NC(=O)CC2.
What is the InChIKey of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UPXONVWKQHUANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-14(24)12-27-19-9-8-18(17-7-10-20(26)23-21(17)19)28-13-16(25)11-22-15-5-3-2-4-6-15/h8-9,15-16,22,25H,2-7,10-13H2,1H3,(H,23,26).
What are the key properties of 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 390.48 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)-2-hydroxypropoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 20570418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).