N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C19H20F2N2O3 — CID 4908338

IUPACN-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1F)CC2
InChIInChI=1S/C19H20F2N2O3/c1-25-17-7-12-5-6-23(10-13(12)8-18(17)26-2)11-19(24)22-16-4-3-14(20)9-15(16)21/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)
InChIKeyMBXQVDRGQOGANM-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.98
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 4908338) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID4908338
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1F)CC2
InChIInChI=1S/C19H20F2N2O3/c1-25-17-7-12-5-6-23(10-13(12)8-18(17)26-2)11-19(24)22-16-4-3-14(20)9-15(16)21/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)
InChIKeyMBXQVDRGQOGANM-UHFFFAOYSA-N
XLogP2.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3',4'-Dihydro-6',7'-dimethoxyspiro(3H-indole-3,1'(2H)-isoquinolin)-2(1H)-one
CID 2999560
Benafentrine
CID 3084603
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino)-N-(4-fluorophenyl)acetamide (34a)
CID 86766181
N-(3-Chloro-4-fluorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl) ethyl)amino)acetamide (34c)
CID 86766183
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-(4-fluorophenyl)acetamide (35a)
CID 86766188
N-(3-Chloro-4-fluorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)amino)acetamide (35c)
CID 86766190
1-(2,4-Difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
9,10-dimethoxy-2-(phenylamino)-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
CID 945686
N-(4-Chlorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino) acetamide (34b)
CID 86766182
N-(4-Cyanophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino) acetamide (34d)
CID 86766184
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-phenylacetamide (HWL-892)
CID 86766187
N-(4-Chlorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)acetamide (35b)
CID 86766189

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 4908338) is N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1F)CC2.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is MBXQVDRGQOGANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-25-17-7-12-5-6-23(10-13(12)8-18(17)26-2)11-19(24)22-16-4-3-14(20)9-15(16)21/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 362.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 4908338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).