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

C14H14ClNO — CID 82448971

IUPAC1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C14H14ClNO/c1-8(2)13-7-11(9(3)17)10-5-4-6-12(15)14(10)16-13/h4-8H,1-3H3
InChIKeyZJKPWVUNOSXVLH-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.21
Rot. Bonds2

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

1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone (PubChem CID 82448971) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
PubChem CID82448971
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C14H14ClNO/c1-8(2)13-7-11(9(3)17)10-5-4-6-12(15)14(10)16-13/h4-8H,1-3H3
InChIKeyZJKPWVUNOSXVLH-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447995
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
CID 46779481
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
8-chloro-2-propan-2-yl-N-propylquinolin-4-amine
CID 63480780
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
CID 53016674
8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82447982
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone?
The IUPAC name of 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone (CID 82448971) is 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone?
The canonical SMILES for 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone is CC(=O)c1cc(C(C)C)nc2c(Cl)cccc12.
What is the InChIKey of 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone?
The InChIKey is ZJKPWVUNOSXVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-8(2)13-7-11(9(3)17)10-5-4-6-12(15)14(10)16-13/h4-8H,1-3H3.
What are the key properties of 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone?
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone has a molecular weight of 247.72 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone is sourced from PubChem (CID 82448971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).