2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one

C23H20N2O — CID 58442731

IUPAC2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one
SMILESCCC1=Nc2ccc(C(c3ccccc3)c3cccnc3)cc2CC1=O
InChIInChI=1S/C23H20N2O/c1-2-20-22(26)14-19-13-17(10-11-21(19)25-20)23(16-7-4-3-5-8-16)18-9-6-12-24-15-18/h3-13,15,23H,2,14H2,1H3
InChIKeyNGRMXMNJDLKMEX-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.87
Rot. Bonds4

About 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one

2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one (PubChem CID 58442731) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one
PubChem CID58442731
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one
SMILESCCC1=Nc2ccc(C(c3ccccc3)c3cccnc3)cc2CC1=O
InChIInChI=1S/C23H20N2O/c1-2-20-22(26)14-19-13-17(10-11-21(19)25-20)23(16-7-4-3-5-8-16)18-9-6-12-24-15-18/h3-13,15,23H,2,14H2,1H3
InChIKeyNGRMXMNJDLKMEX-UHFFFAOYSA-N
XLogP4.87
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854603
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
2,2-dipyridin-3-ylethanol
CID 57450821
6-(2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854708
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854649
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
3-(1-phenoxypropyl)pyridine
CID 57251428
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
1-(2-ethylphenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 115799898

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one?
The IUPAC name of 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one (CID 58442731) is 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one.
What is the SMILES notation for 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one?
The canonical SMILES for 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one is CCC1=Nc2ccc(C(c3ccccc3)c3cccnc3)cc2CC1=O.
What is the InChIKey of 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one?
The InChIKey is NGRMXMNJDLKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-2-20-22(26)14-19-13-17(10-11-21(19)25-20)23(16-7-4-3-5-8-16)18-9-6-12-24-15-18/h3-13,15,23H,2,14H2,1H3.
What are the key properties of 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one?
2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one has a molecular weight of 340.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[phenyl(pyridin-3-yl)methyl]-4H-quinolin-3-one is sourced from PubChem (CID 58442731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).