(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one

C18H19NO2 — CID 124848607

IUPAC(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESCC(C)Oc1ccccc1[C@@H]1CC(=O)c2ccccc2N1
InChIInChI=1S/C18H19NO2/c1-12(2)21-18-10-6-4-8-14(18)16-11-17(20)13-7-3-5-9-15(13)19-16/h3-10,12,16,19H,11H2,1-2H3/t16-/m0/s1
InChIKeyNCYKOAFMNAOKFL-INIZCTEOSA-N
MW281.36 g/mol
LogP4.21
Rot. Bonds3

About (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one

(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 124848607) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID124848607
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESCC(C)Oc1ccccc1[C@@H]1CC(=O)c2ccccc2N1
InChIInChI=1S/C18H19NO2/c1-12(2)21-18-10-6-4-8-14(18)16-11-17(20)13-7-3-5-9-15(13)19-16/h3-10,12,16,19H,11H2,1-2H3/t16-/m0/s1
InChIKeyNCYKOAFMNAOKFL-INIZCTEOSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
3-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54777908
2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride
CID 139262353
3-benzyl-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779556
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779750
CID 56964004
CID 56964004
(5S,6R)-5-nitro-6-(2-propan-2-yloxyphenyl)piperidin-2-one
CID 705361
3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 2869986
(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 781607
9-(2,5-dimethoxyphenyl)-6-(2-propan-2-yloxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 17062775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one (CID 124848607) is (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one is CC(C)Oc1ccccc1[C@@H]1CC(=O)c2ccccc2N1.
What is the InChIKey of (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is NCYKOAFMNAOKFL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12(2)21-18-10-6-4-8-14(18)16-11-17(20)13-7-3-5-9-15(13)19-16/h3-10,12,16,19H,11H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one?
(2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 281.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-yloxyphenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 124848607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).