5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one

C25H30N2O5 — CID 14750939

IUPAC5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)COc1ccc(OCC(O)CNC2CCc3ccccc3C2)c2c1NC(=O)CC2
InChIInChI=1S/C25H30N2O5/c1-16(28)14-31-23-10-9-22(21-8-11-24(30)27-25(21)23)32-15-20(29)13-26-19-7-6-17-4-2-3-5-18(17)12-19/h2-5,9-10,19-20,26,29H,6-8,11-15H2,1H3,(H,27,30)
InChIKeyMAHBSSUVLCOCCO-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.43
Rot. Bonds9

About 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one

5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 14750939) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID14750939
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)COc1ccc(OCC(O)CNC2CCc3ccccc3C2)c2c1NC(=O)CC2
InChIInChI=1S/C25H30N2O5/c1-16(28)14-31-23-10-9-22(21-8-11-24(30)27-25(21)23)32-15-20(29)13-26-19-7-6-17-4-2-3-5-18(17)12-19/h2-5,9-10,19-20,26,29H,6-8,11-15H2,1H3,(H,27,30)
InChIKeyMAHBSSUVLCOCCO-UHFFFAOYSA-N
XLogP2.43
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 14750939) is 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one is CC(=O)COc1ccc(OCC(O)CNC2CCc3ccccc3C2)c2c1NC(=O)CC2.
What is the InChIKey of 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MAHBSSUVLCOCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-16(28)14-31-23-10-9-22(21-8-11-24(30)27-25(21)23)32-15-20(29)13-26-19-7-6-17-4-2-3-5-18(17)12-19/h2-5,9-10,19-20,26,29H,6-8,11-15H2,1H3,(H,27,30).
What are the key properties of 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one?
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 438.52 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-8-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 14750939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).