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

C18H18N2O4 — CID 90524781

IUPAC3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-6-4-12(9-16(15)24-2)17(21)20-13-5-3-11-7-8-19-18(22)14(11)10-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVGMYVRWXBMONEW-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.24
Rot. Bonds4

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

3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide (PubChem CID 90524781) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
PubChem CID90524781
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1OC
InChIInChI=1S/C18H18N2O4/c1-23-15-6-4-12(9-16(15)24-2)17(21)20-13-5-3-11-7-8-19-18(22)14(11)10-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyVGMYVRWXBMONEW-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

methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524778
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)thiophene-3-carboxamide
CID 56764977
1-(5-chloro-2-methoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 56765018
N-(2,3-dihydro-1H-indol-5-yl)-3-hydroxy-4-methoxybenzamide
CID 79735171
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide (CID 90524781) is 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
The InChIKey is VGMYVRWXBMONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-15-6-4-12(9-16(15)24-2)17(21)20-13-5-3-11-7-8-19-18(22)14(11)10-13/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide?
3,4-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 3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 90524781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).