(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate

C12H12ClNO3 — CID 57243759

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
SMILESCC(Cl)C(=O)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H12ClNO3/c1-7(13)12(16)17-9-3-4-10-8(6-9)2-5-11(15)14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyHLJMULBABMGSBD-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.10
Rot. Bonds2

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate (PubChem CID 57243759) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
PubChem CID57243759
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
SMILESCC(Cl)C(=O)Oc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H12ClNO3/c1-7(13)12(16)17-9-3-4-10-8(6-9)2-5-11(15)14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15)
InChIKeyHLJMULBABMGSBD-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanehydrazide
CID 63576489
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
CID 116799026
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 78938613
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate
CID 55535530
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 18226763

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate (CID 57243759) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate is CC(Cl)C(=O)Oc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate?
The InChIKey is HLJMULBABMGSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-7(13)12(16)17-9-3-4-10-8(6-9)2-5-11(15)14-10/h3-4,6-7H,2,5H2,1H3,(H,14,15).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate has a molecular weight of 253.69 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate is sourced from PubChem (CID 57243759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).