1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone

C16H19NO — CID 82447995

IUPAC1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
SMILESCCc1cccc2c(C(C)=O)cc(C(C)C)nc12
InChIInChI=1S/C16H19NO/c1-5-12-7-6-8-13-14(11(4)18)9-15(10(2)3)17-16(12)13/h6-10H,5H2,1-4H3
InChIKeyYHYDRTQPBXDMLA-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.12
Rot. Bonds3

About 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone

1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone (PubChem CID 82447995) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
PubChem CID82447995
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
SMILESCCc1cccc2c(C(C)=O)cc(C(C)C)nc12
InChIInChI=1S/C16H19NO/c1-5-12-7-6-8-13-14(11(4)18)9-15(10(2)3)17-16(12)13/h6-10H,5H2,1-4H3
InChIKeyYHYDRTQPBXDMLA-UHFFFAOYSA-N
XLogP4.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82447982
1-(8-methyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447892
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline
CID 136576079
N-ethyl-2-propan-2-yl-8-propylquinolin-4-amine
CID 63484564
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 3910389
2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
CID 4985765
2-(2-propan-2-ylquinolin-4-yl)acetic acid
CID 82081543
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82447866

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone?
The IUPAC name of 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone (CID 82447995) is 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone is CCc1cccc2c(C(C)=O)cc(C(C)C)nc12.
What is the InChIKey of 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone?
The InChIKey is YHYDRTQPBXDMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-5-12-7-6-8-13-14(11(4)18)9-15(10(2)3)17-16(12)13/h6-10H,5H2,1-4H3.
What are the key properties of 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone?
1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone is sourced from PubChem (CID 82447995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).