2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide

C17H12Cl2N2O2 — CID 100738455

IUPAC2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2/c18-11-1-4-13(5-2-11)20-17(23)10-21-8-7-16(22)14-6-3-12(19)9-15(14)21/h1-9H,10H2,(H,20,23)
InChIKeyWIOOWQWBCKRILT-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.95
Rot. Bonds3

About 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide

2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 100738455) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
PubChem CID100738455
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2N2O2/c18-11-1-4-13(5-2-11)20-17(23)10-21-8-7-16(22)14-6-3-12(19)9-15(14)21/h1-9H,10H2,(H,20,23)
InChIKeyWIOOWQWBCKRILT-UHFFFAOYSA-N
XLogP3.95
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100738649
N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
CID 100739255
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100739307
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
N-(3-acetamidophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100735847
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(7-chloro-4-oxoquinolin-1-yl)-N,N-diethylacetamide
CID 100738906
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 100739457

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide (CID 100738455) is 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide is O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is WIOOWQWBCKRILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-11-1-4-13(5-2-11)20-17(23)10-21-8-7-16(22)14-6-3-12(19)9-15(14)21/h1-9H,10H2,(H,20,23).
What are the key properties of 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide?
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 347.20 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 100738455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).