N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide

C25H24N2O4 — CID 53101829

IUPACN-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C25H24N2O4/c1-25(2)13-17-18(20(28)14-25)15-27(16-9-5-4-6-10-16)24(30)22(17)23(29)26-19-11-7-8-12-21(19)31-3/h4-12,15H,13-14H2,1-3H3,(H,26,29)
InChIKeyZCDQPXDENCCAPG-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.25
Rot. Bonds4

About N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide

N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide (PubChem CID 53101829) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
PubChem CID53101829
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC NameN-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2
InChIInChI=1S/C25H24N2O4/c1-25(2)13-17-18(20(28)14-25)15-27(16-9-5-4-6-10-16)24(30)22(17)23(29)26-19-11-7-8-12-21(19)31-3/h4-12,15H,13-14H2,1-3H3,(H,26,29)
InChIKeyZCDQPXDENCCAPG-UHFFFAOYSA-N
XLogP4.25
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-fluorophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxamide
CID 53101625
N-(2-chlorophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxamide
CID 53101694
N-(5-chloro-2,4-dimethoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxamide
CID 53101741
N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
CID 53101902
6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione
CID 53101868
N-(2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 1090171
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroisoquinoline-3,8-dione
CID 53101762
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2-methoxyphenyl)benzamide
CID 43859477
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide (CID 53101829) is N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide is COc1ccccc1NC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2.
What is the InChIKey of N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
The InChIKey is ZCDQPXDENCCAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-25(2)13-17-18(20(28)14-25)15-27(16-9-5-4-6-10-16)24(30)22(17)23(29)26-19-11-7-8-12-21(19)31-3/h4-12,15H,13-14H2,1-3H3,(H,26,29).
What are the key properties of N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 53101829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).