2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane

C23H35NO — CID 91590341

IUPAC2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane
SMILESCC.CC.CC.CC1C(=O)c2ccccc2N(c2ccccc2)C1C
InChIInChI=1S/C17H17NO.3C2H6/c1-12-13(2)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12)19;3*1-2/h3-13H,1-2H3;3*1-2H3
InChIKeyCBDJWGOMLDKGGI-UHFFFAOYSA-N
MW341.54 g/mol
LogP7.12
Rot. Bonds1

About 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane

2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane (PubChem CID 91590341) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane.

Molecular Properties

Compound Name2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane
PubChem CID91590341
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane
SMILESCC.CC.CC.CC1C(=O)c2ccccc2N(c2ccccc2)C1C
InChIInChI=1S/C17H17NO.3C2H6/c1-12-13(2)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12)19;3*1-2/h3-13H,1-2H3;3*1-2H3
InChIKeyCBDJWGOMLDKGGI-UHFFFAOYSA-N
XLogP7.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane?
The IUPAC name of 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane (CID 91590341) is 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane.
What is the SMILES notation for 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane?
The canonical SMILES for 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane is CC.CC.CC.CC1C(=O)c2ccccc2N(c2ccccc2)C1C.
What is the InChIKey of 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane?
The InChIKey is CBDJWGOMLDKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.3C2H6/c1-12-13(2)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12)19;3*1-2/h3-13H,1-2H3;3*1-2H3.
What are the key properties of 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane?
2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane has a molecular weight of 341.54 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-phenyl-2,3-dihydroquinolin-4-one;ethane is sourced from PubChem (CID 91590341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).