2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide

C18H19Cl2N3O — CID 59982310

IUPAC2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide
SMILESCN1Cc2cc(Cl)c(Cl)cc2C(c2ccc(NC(=O)CN)cc2)C1
InChIInChI=1S/C18H19Cl2N3O/c1-23-9-12-6-16(19)17(20)7-14(12)15(10-23)11-2-4-13(5-3-11)22-18(24)8-21/h2-7,15H,8-10,21H2,1H3,(H,22,24)
InChIKeyBACOQJUUTYSGPW-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.47
Rot. Bonds3

About 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide

2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide (PubChem CID 59982310) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide
PubChem CID59982310
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide
SMILESCN1Cc2cc(Cl)c(Cl)cc2C(c2ccc(NC(=O)CN)cc2)C1
InChIInChI=1S/C18H19Cl2N3O/c1-23-9-12-6-16(19)17(20)7-14(12)15(10-23)11-2-4-13(5-3-11)22-18(24)8-21/h2-7,15H,8-10,21H2,1H3,(H,22,24)
InChIKeyBACOQJUUTYSGPW-UHFFFAOYSA-N
XLogP3.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide with MolForge

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Related Compounds

N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-(methylamino)acetamide
CID 10215836
buta-1,3-diene;6,7-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 171526432
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide
CID 10178516
methyl 2-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamoylamino]butanoate
CID 91052950
3-[[4-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]carbamoylamino]propanoic acid
CID 135244923
2-(dimethylamino)ethyl N-[4-(8-amino-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate
CID 89200401
N-[4-(6-amino-8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 89200398
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanesulfonamide;iodomethane
CID 158219395
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110460211
3-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)anilino]-4-methylcyclobut-3-ene-1,2-dione
CID 143202425
5-[(2-aminoacetyl)amino]-2-chlorobenzoic acid
CID 43714080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide (CID 59982310) is 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide is CN1Cc2cc(Cl)c(Cl)cc2C(c2ccc(NC(=O)CN)cc2)C1.
What is the InChIKey of 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide?
The InChIKey is BACOQJUUTYSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-23-9-12-6-16(19)17(20)7-14(12)15(10-23)11-2-4-13(5-3-11)22-18(24)8-21/h2-7,15H,8-10,21H2,1H3,(H,22,24).
What are the key properties of 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide?
2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide has a molecular weight of 364.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(6,7-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]acetamide is sourced from PubChem (CID 59982310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).