2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide

C18H18N2O4 — CID 90524778

IUPAC2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)c1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-5-3-4-13(16(15)24-2)18(22)20-12-7-6-11-8-9-19-17(21)14(11)10-12/h3-7,10H,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIISAGSSUJAPPRB-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.24
Rot. Bonds4

About 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide

2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide (PubChem CID 90524778) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
PubChem CID90524778
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)c1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-5-3-4-13(16(15)24-2)18(22)20-12-7-6-11-8-9-19-17(21)14(11)10-12/h3-7,10H,8-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIISAGSSUJAPPRB-UHFFFAOYSA-N
XLogP2.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 90524965
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
2-methylsulfanyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 56764986
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
1-(5-chloro-2-methoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 56765018
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide
CID 16801900
2,3-dimethoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517455
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)thiophene-3-carboxamide
CID 56764977

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide (CID 90524778) is 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide is COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The InChIKey is IISAGSSUJAPPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-5-3-4-13(16(15)24-2)18(22)20-12-7-6-11-8-9-19-17(21)14(11)10-12/h3-7,10H,8-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide has a molecular weight of 326.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 90524778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).