N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C19H21ClN2O3 — CID 60585239

IUPACN-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1ccc2c(c1)CN(CC(=O)Nc1cc(Cl)ccc1OC)CC2
InChIInChI=1S/C19H21ClN2O3/c1-24-16-5-3-13-7-8-22(11-14(13)9-16)12-19(23)21-17-10-15(20)4-6-18(17)25-2/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyXYPROLITBZKGQZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.35
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 60585239) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID60585239
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1ccc2c(c1)CN(CC(=O)Nc1cc(Cl)ccc1OC)CC2
InChIInChI=1S/C19H21ClN2O3/c1-24-16-5-3-13-7-8-22(11-14(13)9-16)12-19(23)21-17-10-15(20)4-6-18(17)25-2/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyXYPROLITBZKGQZ-UHFFFAOYSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 60585254
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 51170465
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 175651518
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2545808
N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide
CID 99782007
2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 86868141
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 60585239) is N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is COc1ccc2c(c1)CN(CC(=O)Nc1cc(Cl)ccc1OC)CC2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is XYPROLITBZKGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-16-5-3-13-7-8-22(11-14(13)9-16)12-19(23)21-17-10-15(20)4-6-18(17)25-2/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 60585239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).