1-(2-chloroquinolin-3-yl)propan-2-one

C12H10ClNO — CID 116985236

IUPAC1-(2-chloroquinolin-3-yl)propan-2-one
SMILESCC(=O)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClNO/c1-8(15)6-10-7-9-4-2-3-5-11(9)14-12(10)13/h2-5,7H,6H2,1H3
InChIKeyWOUBULNLBXGXAY-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.02
Rot. Bonds2

About 1-(2-chloroquinolin-3-yl)propan-2-one

1-(2-chloroquinolin-3-yl)propan-2-one (PubChem CID 116985236) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-(2-chloroquinolin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloroquinolin-3-yl)propan-2-one
PubChem CID116985236
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-(2-chloroquinolin-3-yl)propan-2-one
SMILESCC(=O)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClNO/c1-8(15)6-10-7-9-4-2-3-5-11(9)14-12(10)13/h2-5,7H,6H2,1H3
InChIKeyWOUBULNLBXGXAY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
(2-chloroquinolin-3-yl)methanamine
CID 71748539
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
2-[(2-chloroquinolin-3-yl)methylsulfanyl]butanoic acid
CID 105353050
3-benzyl-2-chloroquinoline
CID 14001237
[2-(tert-butylamino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
CID 8767990
(2-chloroquinolin-3-yl) acetate
CID 175423972
(2-chloroquinolin-3-yl)methyl methanesulfonate
CID 22388059
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690
1-[(2-chloroquinolin-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 78964550
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
CID 9348112
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroquinolin-3-yl)propan-2-one?
The IUPAC name of 1-(2-chloroquinolin-3-yl)propan-2-one (CID 116985236) is 1-(2-chloroquinolin-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-chloroquinolin-3-yl)propan-2-one?
The canonical SMILES for 1-(2-chloroquinolin-3-yl)propan-2-one is CC(=O)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 1-(2-chloroquinolin-3-yl)propan-2-one?
The InChIKey is WOUBULNLBXGXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-8(15)6-10-7-9-4-2-3-5-11(9)14-12(10)13/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2-chloroquinolin-3-yl)propan-2-one?
1-(2-chloroquinolin-3-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-(2-chloroquinolin-3-yl)propan-2-one is sourced from PubChem (CID 116985236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).