7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

C23H28N2O3 — CID 3060999

IUPAC7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC(O)CN3CCC(c4ccccc4)CC3)cc2N1
InChIInChI=1S/C23H28N2O3/c26-20(15-25-12-10-18(11-13-25)17-4-2-1-3-5-17)16-28-21-8-6-19-7-9-23(27)24-22(19)14-21/h1-6,8,14,18,20,26H,7,9-13,15-16H2,(H,24,27)
InChIKeyCPXJWPACAUOGMV-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.19
Rot. Bonds6

About 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one

7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3060999) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID3060999
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC(O)CN3CCC(c4ccccc4)CC3)cc2N1
InChIInChI=1S/C23H28N2O3/c26-20(15-25-12-10-18(11-13-25)17-4-2-1-3-5-17)16-28-21-8-6-19-7-9-23(27)24-22(19)14-21/h1-6,8,14,18,20,26H,7,9-13,15-16H2,(H,24,27)
InChIKeyCPXJWPACAUOGMV-UHFFFAOYSA-N
XLogP3.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 3060999) is 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCC(O)CN3CCC(c4ccccc4)CC3)cc2N1.
What is the InChIKey of 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CPXJWPACAUOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-20(15-25-12-10-18(11-13-25)17-4-2-1-3-5-17)16-28-21-8-6-19-7-9-23(27)24-22(19)14-21/h1-6,8,14,18,20,26H,7,9-13,15-16H2,(H,24,27).
What are the key properties of 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3060999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).