3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione

C23H22ClN3O6 — CID 4868894

IUPAC3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione
SMILESCOc1c2c(cc3c1C(c1c(O)n(C)c(=O)n(-c4ccc(Cl)cc4)c1=O)N(C)CC3)OCO2
InChIInChI=1S/C23H22ClN3O6/c1-25-9-8-12-10-15-19(33-11-32-15)20(31-3)16(12)18(25)17-21(28)26(2)23(30)27(22(17)29)14-6-4-13(24)5-7-14/h4-7,10,18,28H,8-9,11H2,1-3H3
InChIKeyDNGUCXIXYNYDMS-UHFFFAOYSA-N
MW471.90 g/mol
LogP2.21
Rot. Bonds3

About 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione

3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione (PubChem CID 4868894) has the molecular formula C23H22ClN3O6 and a molecular weight of 471.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione
PubChem CID4868894
Molecular FormulaC23H22ClN3O6
Molecular Weight471.90 g/mol
Exact Mass471.12
IUPAC Name3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione
SMILESCOc1c2c(cc3c1C(c1c(O)n(C)c(=O)n(-c4ccc(Cl)cc4)c1=O)N(C)CC3)OCO2
InChIInChI=1S/C23H22ClN3O6/c1-25-9-8-12-10-15-19(33-11-32-15)20(31-3)16(12)18(25)17-21(28)26(2)23(30)27(22(17)29)14-6-4-13(24)5-7-14/h4-7,10,18,28H,8-9,11H2,1-3H3
InChIKeyDNGUCXIXYNYDMS-UHFFFAOYSA-N
XLogP2.21
TPSA95.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidenepyrimidin-4-one
CID 3739918
6-hydroxy-5-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 1426791
1-(4-fluorophenyl)-6-hydroxy-5-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-sulfanylidenepyrimidin-4-one
CID 1427514
(5R)-5-[1-(4-chlorophenyl)tetrazol-5-yl]-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 7077446
6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3815738
6-hydroxy-5-[2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 3567140
1-cyclopropyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidenepyrimidin-4-one
CID 3785784
1-[(2S)-butan-2-yl]-6-hydroxy-5-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-sulfanylidenepyrimidin-4-one
CID 27603576
6-hydroxy-7-methoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one
CID 18728260
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;phthalic acid
CID 21155865
6-hydroxy-5-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1-[(2R)-4-phenylbutan-2-yl]pyrimidine-2,4-dione
CID 40853374
2-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]acetic acid
CID 933623

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione (CID 4868894) is 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione is COc1c2c(cc3c1C(c1c(O)n(C)c(=O)n(-c4ccc(Cl)cc4)c1=O)N(C)CC3)OCO2.
What is the InChIKey of 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione?
The InChIKey is DNGUCXIXYNYDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O6/c1-25-9-8-12-10-15-19(33-11-32-15)20(31-3)16(12)18(25)17-21(28)26(2)23(30)27(22(17)29)14-6-4-13(24)5-7-14/h4-7,10,18,28H,8-9,11H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione?
3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione has a molecular weight of 471.90 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4868894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).