1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one

C19H21NO2 — CID 82173929

IUPAC1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(C(O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C19H21NO2/c1-3-20-17-10-8-16(12-15(17)9-11-18(20)21)19(22)14-6-4-13(2)5-7-14/h4-8,10,12,19,22H,3,9,11H2,1-2H3
InChIKeyPZTAVTZYQFMEAE-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.38
Rot. Bonds3

About 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one

1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 82173929) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID82173929
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(C(O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C19H21NO2/c1-3-20-17-10-8-16(12-15(17)9-11-18(20)21)19(22)14-6-4-13(2)5-7-14/h4-8,10,12,19,22H,3,9,11H2,1-2H3
InChIKeyPZTAVTZYQFMEAE-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172057
1-ethyl-7-(1-hydroxyethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176086
1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172314
6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one
CID 82173906
1-ethyl-7-(1-hydroxy-3-methylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 82176092
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324
1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
CID 82172045
(E)-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-methylphenyl)prop-2-enamide
CID 83287705
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
1-ethyl-2-oxo-N-propan-2-yl-3,4-dihydroquinoline-6-sulfonamide
CID 119055614

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one (CID 82173929) is 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(C(O)c3ccc(C)cc3)ccc21.
What is the InChIKey of 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is PZTAVTZYQFMEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-20-17-10-8-16(12-15(17)9-11-18(20)21)19(22)14-6-4-13(2)5-7-14/h4-8,10,12,19,22H,3,9,11H2,1-2H3.
What are the key properties of 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one?
1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[hydroxy-(4-methylphenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82173929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).