2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one

C19H21NO2 — CID 110538830

IUPAC2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one
SMILESCC(C)(C)Oc1ccc(C2CC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-14-10-8-13(9-11-14)17-12-18(21)15-6-4-5-7-16(15)20-17/h4-11,17,20H,12H2,1-3H3
InChIKeyKLHJXMSTUPEHMY-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.60
Rot. Bonds2

About 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one (PubChem CID 110538830) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one
PubChem CID110538830
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one
SMILESCC(C)(C)Oc1ccc(C2CC(=O)c3ccccc3N2)cc1
InChIInChI=1S/C19H21NO2/c1-19(2,3)22-14-10-8-13(9-11-14)17-12-18(21)15-6-4-5-7-16(15)20-17/h4-11,17,20H,12H2,1-3H3
InChIKeyKLHJXMSTUPEHMY-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
(4S)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]imidazolidin-2-one
CID 171252821
2-(4-methoxyphenyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 10107074
2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110539671
CID 56964004
CID 56964004
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
6-(4-methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 71753924
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 124848607
2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 82297057

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one (CID 110538830) is 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one is CC(C)(C)Oc1ccc(C2CC(=O)c3ccccc3N2)cc1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is KLHJXMSTUPEHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2,3)22-14-10-8-13(9-11-14)17-12-18(21)15-6-4-5-7-16(15)20-17/h4-11,17,20H,12H2,1-3H3.
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one?
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 295.38 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 110538830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).