1-(8-chloroquinolin-2-yl)propan-2-one

C12H10ClNO — CID 82242117

IUPAC1-(8-chloroquinolin-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C12H10ClNO/c1-8(15)7-10-6-5-9-3-2-4-11(13)12(9)14-10/h2-6H,7H2,1H3
InChIKeyDVCMOWJUJBIFHQ-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.02
Rot. Bonds2

About 1-(8-chloroquinolin-2-yl)propan-2-one

1-(8-chloroquinolin-2-yl)propan-2-one (PubChem CID 82242117) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-(8-chloroquinolin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(8-chloroquinolin-2-yl)propan-2-one
PubChem CID82242117
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-(8-chloroquinolin-2-yl)propan-2-one
SMILESCC(=O)Cc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C12H10ClNO/c1-8(15)7-10-6-5-9-3-2-4-11(13)12(9)14-10/h2-6H,7H2,1H3
InChIKeyDVCMOWJUJBIFHQ-UHFFFAOYSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(8-chloroquinolin-2-yl)propanoate
CID 82244790
2-(8-chloroquinolin-2-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 110490200
2-(8-chloroquinolin-2-yl)-N-prop-2-enylacetamide
CID 110490193
1-(7-chloro-6-fluoroquinolin-2-yl)propan-2-one
CID 82243491
1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
CID 118396926
2-(8-methylquinolin-2-yl)acetamide
CID 110487629
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712
2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362
1-(5-chloroimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 137347473
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
8-ethyl-2-propylquinoline
CID 58320607
2-(8-hydroxyquinolin-2-yl)-1-phenylethanone
CID 174915828

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-2-yl)propan-2-one?
The IUPAC name of 1-(8-chloroquinolin-2-yl)propan-2-one (CID 82242117) is 1-(8-chloroquinolin-2-yl)propan-2-one.
What is the SMILES notation for 1-(8-chloroquinolin-2-yl)propan-2-one?
The canonical SMILES for 1-(8-chloroquinolin-2-yl)propan-2-one is CC(=O)Cc1ccc2cccc(Cl)c2n1.
What is the InChIKey of 1-(8-chloroquinolin-2-yl)propan-2-one?
The InChIKey is DVCMOWJUJBIFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-8(15)7-10-6-5-9-3-2-4-11(13)12(9)14-10/h2-6H,7H2,1H3.
What are the key properties of 1-(8-chloroquinolin-2-yl)propan-2-one?
1-(8-chloroquinolin-2-yl)propan-2-one has a molecular weight of 219.67 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-2-yl)propan-2-one is sourced from PubChem (CID 82242117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).