2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide

C21H18ClN3O3 — CID 166356281

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide
SMILESCN1Cc2ccccc2C(NC(=O)COc2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C21H18ClN3O3/c1-25-11-13-5-2-3-6-14(13)20(21(25)27)24-18(26)12-28-17-9-8-16(22)15-7-4-10-23-19(15)17/h2-10,20H,11-12H2,1H3,(H,24,26)
InChIKeyBVBONMDQPISMBU-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.10
Rot. Bonds4

About 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide

2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide (PubChem CID 166356281) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide
PubChem CID166356281
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide
SMILESCN1Cc2ccccc2C(NC(=O)COc2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C21H18ClN3O3/c1-25-11-13-5-2-3-6-14(13)20(21(25)27)24-18(26)12-28-17-9-8-16(22)15-7-4-10-23-19(15)17/h2-10,20H,11-12H2,1H3,(H,24,26)
InChIKeyBVBONMDQPISMBU-UHFFFAOYSA-N
XLogP3.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroquinolin-8-yl)oxy-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 97016809
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
N'-[2-(5-chloroquinolin-8-yl)oxyacetyl]benzohydrazide
CID 55602763
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 119601328
2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8716448
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
N-(2-acetylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716322
2-(5-chloroquinolin-8-yl)oxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55525311
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
N-(2-chloro-4,6-dimethylphenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716287

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide (CID 166356281) is 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide is CN1Cc2ccccc2C(NC(=O)COc2ccc(Cl)c3cccnc23)C1=O.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide?
The InChIKey is BVBONMDQPISMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-25-11-13-5-2-3-6-14(13)20(21(25)27)24-18(26)12-28-17-9-8-16(22)15-7-4-10-23-19(15)17/h2-10,20H,11-12H2,1H3,(H,24,26).
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide has a molecular weight of 395.85 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-4-yl)acetamide is sourced from PubChem (CID 166356281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).