1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone

C21H21NO2 — CID 21061076

IUPAC1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone
SMILESCCc1cc2cc(C(=O)Cc3ccccc3)cc(OC)c2nc1C
InChIInChI=1S/C21H21NO2/c1-4-16-11-18-12-17(13-20(24-3)21(18)22-14(16)2)19(23)10-15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3
InChIKeyLSINTYBCNOMSOJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.54
Rot. Bonds5

About 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone

1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone (PubChem CID 21061076) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone
PubChem CID21061076
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone
SMILESCCc1cc2cc(C(=O)Cc3ccccc3)cc(OC)c2nc1C
InChIInChI=1S/C21H21NO2/c1-4-16-11-18-12-17(13-20(24-3)21(18)22-14(16)2)19(23)10-15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3
InChIKeyLSINTYBCNOMSOJ-UHFFFAOYSA-N
XLogP4.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone?
The IUPAC name of 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone (CID 21061076) is 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone?
The canonical SMILES for 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone is CCc1cc2cc(C(=O)Cc3ccccc3)cc(OC)c2nc1C.
What is the InChIKey of 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone?
The InChIKey is LSINTYBCNOMSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-4-16-11-18-12-17(13-20(24-3)21(18)22-14(16)2)19(23)10-15-8-6-5-7-9-15/h5-9,11-13H,4,10H2,1-3H3.
What are the key properties of 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone?
1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone has a molecular weight of 319.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone is sourced from PubChem (CID 21061076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).