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

C20H19NO — CID 10085578

IUPAC1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone
SMILESCCc1cc2cc(C(=O)Cc3ccccc3)ccc2nc1C
InChIInChI=1S/C20H19NO/c1-3-16-12-18-13-17(9-10-19(18)21-14(16)2)20(22)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3
InChIKeyXGOOJYHXXUKMSU-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.53
Rot. Bonds4

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

1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone (PubChem CID 10085578) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone
PubChem CID10085578
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone
SMILESCCc1cc2cc(C(=O)Cc3ccccc3)ccc2nc1C
InChIInChI=1S/C20H19NO/c1-3-16-12-18-13-17(9-10-19(18)21-14(16)2)20(22)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3
InChIKeyXGOOJYHXXUKMSU-UHFFFAOYSA-N
XLogP4.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoline Yellow
CID 6731
6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one
CID 16065021
9-Acridinecarboxaldehyde
CID 98663
1-(4-Amino-2-methylquinolin-3-yl)ethanone
CID 672297
2-Benzoylquinoline
CID 727029
Flavanthrone
CID 68059
EG-018
CID 118796466
3-ethyl-6-[(4-methoxycyclohexyl)carbonyl]-2-(11C)methylquinoline
CID 9972691
11H-Indeno[1,2-b]quinolin-11-one
CID 245882
Acetophenone, 4'-(9-acridinylamino)-
CID 51972
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Methylquinoline-4-carboxamide
CID 85122

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone?
The IUPAC name of 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone (CID 10085578) is 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone?
The canonical SMILES for 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone is CCc1cc2cc(C(=O)Cc3ccccc3)ccc2nc1C.
What is the InChIKey of 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone?
The InChIKey is XGOOJYHXXUKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-3-16-12-18-13-17(9-10-19(18)21-14(16)2)20(22)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone?
1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone has a molecular weight of 289.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylquinolin-6-yl)-2-phenylethanone is sourced from PubChem (CID 10085578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).