6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione

C22H24N2O4 — CID 53101868

IUPAC6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione
SMILESCC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C22H24N2O4/c1-22(2)12-16-17(18(25)13-22)14-24(15-6-4-3-5-7-15)21(27)19(16)20(26)23-8-10-28-11-9-23/h3-7,14H,8-13H2,1-2H3
InChIKeyGHLZUPUWQCQRRC-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.46
Rot. Bonds2

About 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione

6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione (PubChem CID 53101868) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione.

Molecular Properties

Compound Name6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione
PubChem CID53101868
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione
SMILESCC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C22H24N2O4/c1-22(2)12-16-17(18(25)13-22)14-24(15-6-4-3-5-7-15)21(27)19(16)20(26)23-8-10-28-11-9-23/h3-7,14H,8-13H2,1-2H3
InChIKeyGHLZUPUWQCQRRC-UHFFFAOYSA-N
XLogP2.46
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione with MolForge

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Related Compounds

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroisoquinoline-3,8-dione
CID 53101762
N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
CID 53101829
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-[2-[benzyl(methyl)amino]ethyl]-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxamide
CID 53101791
N-(3-cyanophenyl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxamide
CID 53101785
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)isoquinolin-1-one
CID 14891733
2-methyl-3-(morpholine-4-carbonyl)benzo[f][1]benzofuran-4,9-dione
CID 1382504
5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 53436945
3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67532747
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione?
The IUPAC name of 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione (CID 53101868) is 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione.
What is the SMILES notation for 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione?
The canonical SMILES for 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione is CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione?
The InChIKey is GHLZUPUWQCQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2)12-16-17(18(25)13-22)14-24(15-6-4-3-5-7-15)21(27)19(16)20(26)23-8-10-28-11-9-23/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione?
6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione has a molecular weight of 380.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-(morpholine-4-carbonyl)-2-phenyl-5,7-dihydroisoquinoline-3,8-dione is sourced from PubChem (CID 53101868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).