1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C20H30N2O2 — CID 118719925

IUPAC1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1
InChIInChI=1S/C20H30N2O2/c23-16-3-5-17-10-14-21(15-11-17)12-4-13-22-19-7-2-1-6-18(19)8-9-20(22)24/h1-2,6-7,17,23H,3-5,8-16H2
InChIKeyFKIOAWWWCGUPIH-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.84
Rot. Bonds7

About 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 118719925) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID118719925
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1
InChIInChI=1S/C20H30N2O2/c23-16-3-5-17-10-14-21(15-11-17)12-4-13-22-19-7-2-1-6-18(19)8-9-20(22)24/h1-2,6-7,17,23H,3-5,8-16H2
InChIKeyFKIOAWWWCGUPIH-UHFFFAOYSA-N
XLogP2.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 118719925) is 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1.
What is the InChIKey of 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is FKIOAWWWCGUPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-16-3-5-17-10-14-21(15-11-17)12-4-13-22-19-7-2-1-6-18(19)8-9-20(22)24/h1-2,6-7,17,23H,3-5,8-16H2.
What are the key properties of 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 330.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-hydroxypropyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118719925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).