2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide

C18H15ClN2O2 — CID 154872713

IUPAC2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
SMILESCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyRPTKBNCKDMLWOT-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.08
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide

2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide (PubChem CID 154872713) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
PubChem CID154872713
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide
SMILESCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyRPTKBNCKDMLWOT-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide
CID 169408361
MAT-POS-b3e365b9-1
CID 154878592
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906260
(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906261
(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906443
(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906643
(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156907049
N-(2-chloropyridin-3-yl)-2-(naphthalen-2-yloxy)acetamide
CID 1105286
3-(4-methoxyphenyl)-N-quinolin-3-ylpropanamide
CID 5299704
3-amino-N-isoquinolin-6-yl-2-(3-methoxyphenyl)propanamide
CID 123155509
(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
CID 156906437
2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide
CID 169408327

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide (CID 154872713) is 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide is COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
The InChIKey is RPTKBNCKDMLWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22).
What are the key properties of 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide?
2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide has a molecular weight of 326.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide is sourced from PubChem (CID 154872713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).