2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde

C17H11Cl2NO2 — CID 51031202

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde
SMILESO=CCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H11Cl2NO2/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-21)17(22)20-15/h1-6,8-9H,7H2,(H,20,22)
InChIKeyHMMJMCYHTTYDKN-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.24
Rot. Bonds3

About 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde

2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde (PubChem CID 51031202) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde
PubChem CID51031202
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde
SMILESO=CCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H11Cl2NO2/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-21)17(22)20-15/h1-6,8-9H,7H2,(H,20,22)
InChIKeyHMMJMCYHTTYDKN-UHFFFAOYSA-N
XLogP4.24
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-Chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
CID 921795
6-Chloro-4-methylquinolin-2(1H)-one
CID 606322
1-(6-Chloro-2-hydroxy-4-phenylquinolin-3-yl)ethanone
CID 678849
3-Amino-6-chloro-4-phenylquinolin-2-ol
CID 3810484
6-Chloro-4-phenyl-1,2-dihydroquinolin-2-one
CID 878295
4-(2-Chloro-benzylamino)-2-oxo-1,2-dihydro-quinoline-3-carbaldehyde
CID 6502650
3-acetyl-4-(4-chlorophenyl)quinolin-2(1H)-one
CID 2872496
n-(5-Chlorobiphenyl-2-yl)acetamide
CID 231511
6-chloro-3-(2-hydroxyethyl)-4-phenyl-1H-quinolin-2-one
CID 12591900
6-chloro-4-(2-chlorophenyl)-1H-quinolin-2-one
CID 21496150
6-chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 24863612
6-chloro-4-(2-fluorophenyl)-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 25071681

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde (CID 51031202) is 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde is O=CCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde?
The InChIKey is HMMJMCYHTTYDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-10-5-6-15-13(9-10)16(11-3-1-2-4-14(11)19)12(7-8-21)17(22)20-15/h1-6,8-9H,7H2,(H,20,22).
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde?
2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde has a molecular weight of 332.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetaldehyde is sourced from PubChem (CID 51031202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).