(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one

C18H17NO — CID 132504937

IUPAC(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one
SMILESC=C1C(=O)N(CC)c2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO/c1-3-19-16-12-8-7-11-15(16)17(13(2)18(19)20)14-9-5-4-6-10-14/h4-12,17H,2-3H2,1H3/t17-/m1/s1
InChIKeyFHYPWTQLLHOIDE-QGZVFWFLSA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds2

About (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one

(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one (PubChem CID 132504937) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one
PubChem CID132504937
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one
SMILESC=C1C(=O)N(CC)c2ccccc2[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO/c1-3-19-16-12-8-7-11-15(16)17(13(2)18(19)20)14-9-5-4-6-10-14/h4-12,17H,2-3H2,1H3/t17-/m1/s1
InChIKeyFHYPWTQLLHOIDE-QGZVFWFLSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(3-methoxyphenyl)-3H-indol-2-one
CID 141342791
(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one
CID 134967255
1-ethyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
CID 82647171
1,3-diethyl-2-methylidenebenzimidazole
CID 13297425
(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367911
1-ethyl-3-phenyliminoindol-2-one
CID 23936952
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
(3S)-1-[methyl(2-phenylethyl)amino]-3-phenyl-3H-indol-2-one
CID 98198135
6-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82022163
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one
CID 69318976
N-(2-oxo-3-phenyl-3H-indol-1-yl)-N-phenylacetamide
CID 13316077

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one?
The IUPAC name of (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one (CID 132504937) is (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one.
What is the SMILES notation for (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one?
The canonical SMILES for (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one is C=C1C(=O)N(CC)c2ccccc2[C@H]1c1ccccc1.
What is the InChIKey of (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one?
The InChIKey is FHYPWTQLLHOIDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-19-16-12-8-7-11-15(16)17(13(2)18(19)20)14-9-5-4-6-10-14/h4-12,17H,2-3H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one?
(4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one has a molecular weight of 263.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-3-methylidene-4-phenyl-4H-quinolin-2-one is sourced from PubChem (CID 132504937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).