1-(8-ethyl-2-methylquinolin-4-yl)ethanone

C14H15NO — CID 82447963

IUPAC1-(8-ethyl-2-methylquinolin-4-yl)ethanone
SMILESCCc1cccc2c(C(C)=O)cc(C)nc12
InChIInChI=1S/C14H15NO/c1-4-11-6-5-7-12-13(10(3)16)8-9(2)15-14(11)12/h5-8H,4H2,1-3H3
InChIKeySGIWSDNEYWYRNB-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.31
Rot. Bonds2

About 1-(8-ethyl-2-methylquinolin-4-yl)ethanone

1-(8-ethyl-2-methylquinolin-4-yl)ethanone (PubChem CID 82447963) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(8-ethyl-2-methylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-ethyl-2-methylquinolin-4-yl)ethanone
PubChem CID82447963
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(8-ethyl-2-methylquinolin-4-yl)ethanone
SMILESCCc1cccc2c(C(C)=O)cc(C)nc12
InChIInChI=1S/C14H15NO/c1-4-11-6-5-7-12-13(10(3)16)8-9(2)15-14(11)12/h5-8H,4H2,1-3H3
InChIKeySGIWSDNEYWYRNB-UHFFFAOYSA-N
XLogP3.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447995
2-(8-ethyl-2-methylquinolin-4-yl)acetamide
CID 82575384
1-(8-ethyl-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82447933
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
8-ethoxy-2-methylquinoline-4-carboxamide
CID 82574053
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
CID 4985765
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
8-ethoxy-N-hydroxy-2-methylquinoline-4-carboxamide
CID 82574485

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-2-methylquinolin-4-yl)ethanone?
The IUPAC name of 1-(8-ethyl-2-methylquinolin-4-yl)ethanone (CID 82447963) is 1-(8-ethyl-2-methylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-ethyl-2-methylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(8-ethyl-2-methylquinolin-4-yl)ethanone is CCc1cccc2c(C(C)=O)cc(C)nc12.
What is the InChIKey of 1-(8-ethyl-2-methylquinolin-4-yl)ethanone?
The InChIKey is SGIWSDNEYWYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-4-11-6-5-7-12-13(10(3)16)8-9(2)15-14(11)12/h5-8H,4H2,1-3H3.
What are the key properties of 1-(8-ethyl-2-methylquinolin-4-yl)ethanone?
1-(8-ethyl-2-methylquinolin-4-yl)ethanone has a molecular weight of 213.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-2-methylquinolin-4-yl)ethanone is sourced from PubChem (CID 82447963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).