bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one

C23H28N2O3 — CID 70454211

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)CCN3CCC(O)CC3)ccc2N1.c1cc2ccc1-2
InChIInChI=1S/C17H24N2O3.C6H4/c20-14-5-8-19(9-6-14)10-7-16(21)13-1-3-15-12(11-13)2-4-17(22)18-15;1-2-6-4-3-5(1)6/h1,3,11,14,16,20-21H,2,4-10H2,(H,18,22);1-4H
InChIKeyQLMYWCWYGGFEIV-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.12
Rot. Bonds4

About bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one

bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70454211) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID70454211
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(O)CCN3CCC(O)CC3)ccc2N1.c1cc2ccc1-2
InChIInChI=1S/C17H24N2O3.C6H4/c20-14-5-8-19(9-6-14)10-7-16(21)13-1-3-15-12(11-13)2-4-17(22)18-15;1-2-6-4-3-5(1)6/h1,3,11,14,16,20-21H,2,4-10H2,(H,18,22);1-4H
InChIKeyQLMYWCWYGGFEIV-UHFFFAOYSA-N
XLogP3.12
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13064857
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453417
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
6-[(1R)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 100604538
6-[(1R)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 100604548
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341
6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 123840256
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one (CID 70454211) is bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(O)CCN3CCC(O)CC3)ccc2N1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QLMYWCWYGGFEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.C6H4/c20-14-5-8-19(9-6-14)10-7-16(21)13-1-3-15-12(11-13)2-4-17(22)18-15;1-2-6-4-3-5(1)6/h1,3,11,14,16,20-21H,2,4-10H2,(H,18,22);1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one?
bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70454211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).