3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one

C15H20N2O2 — CID 114337616

IUPAC3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one
SMILESO=C1NCCCCC1N1CCC(O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c18-14-8-10-17(12-6-2-1-5-11(12)14)13-7-3-4-9-16-15(13)19/h1-2,5-6,13-14,18H,3-4,7-10H2,(H,16,19)
InChIKeyRNTVACWPDCJPQB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.60
Rot. Bonds1

About 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one

3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one (PubChem CID 114337616) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one.

Molecular Properties

Compound Name3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one
PubChem CID114337616
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one
SMILESO=C1NCCCCC1N1CCC(O)c2ccccc21
InChIInChI=1S/C15H20N2O2/c18-14-8-10-17(12-6-2-1-5-11(12)14)13-7-3-4-9-16-15(13)19/h1-2,5-6,13-14,18H,3-4,7-10H2,(H,16,19)
InChIKeyRNTVACWPDCJPQB-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-chlorophenyl)piperazin-1-yl]azepan-2-one
CID 17426374
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
(3aS,6R)-4-oxo-1,2,3,3a,5,6-hexahydropyrrolo[1,2-a][1,4]benzodiazepine-6-carboxamide
CID 69403962
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
3-(3,4-dihydro-1H-isoquinolin-2-yl)azepan-2-one
CID 131702103
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
(3S,11S)-3-anilino-1,9-diazabicyclo[9.3.0]tetradecane-2,10-dione
CID 162417307
3-(7-amino-2,3-dihydroindol-1-yl)azepan-2-one
CID 114456350
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
CID 114337628
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)azepan-2-one
CID 104679679
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]piperidin-2-one
CID 172891114
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)azepan-2-one
CID 103981131

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one?
The IUPAC name of 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one (CID 114337616) is 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one.
What is the SMILES notation for 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one?
The canonical SMILES for 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one is O=C1NCCCCC1N1CCC(O)c2ccccc21.
What is the InChIKey of 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one?
The InChIKey is RNTVACWPDCJPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-8-10-17(12-6-2-1-5-11(12)14)13-7-3-4-9-16-15(13)19/h1-2,5-6,13-14,18H,3-4,7-10H2,(H,16,19).
What are the key properties of 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one?
3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)azepan-2-one is sourced from PubChem (CID 114337616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).