5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione

C23H27N3O5 — CID 4888956

IUPAC5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C23H27N3O5/c1-23(2)10-13-18(14(27)11-23)17(12-7-8-15(30-5)16(9-12)31-6)19-20(24-13)25(3)22(29)26(4)21(19)28/h7-9,17,24H,10-11H2,1-6H3
InChIKeyHSGIBEKALQPYQS-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.30
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione

5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione (PubChem CID 4888956) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
PubChem CID4888956
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC
InChIInChI=1S/C23H27N3O5/c1-23(2)10-13-18(14(27)11-23)17(12-7-8-15(30-5)16(9-12)31-6)19-20(24-13)25(3)22(29)26(4)21(19)28/h7-9,17,24H,10-11H2,1-6H3
InChIKeyHSGIBEKALQPYQS-UHFFFAOYSA-N
XLogP2.30
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione 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-benzyl-2-hydroxy-5-(4-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
CID 2936186
Ethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2829359
9-(3,4-Dimethoxy-phenyl)-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione
CID 1341111
9-(3,4-dimethoxyphenyl)-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1738452
5-(3,4-dimethoxyphenyl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
CID 2857530
2-Methoxy-4-[2-methyl-3-(4-morpholinylcarbonyl)-5-oxo-1,4,5,6,7,8-hexahydro-4-quinolinyl]phenyl acetate
CID 2943434
CID 2999242
CID 2999242
5-(2,5-dimethoxyphenyl)-1,3-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 3243488
3-(2-Cyclohex-1-enyl-ethyl)-5-[(E)-3-(3,4-dimethoxy-phenyl)-acryloyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 6220154
4-[3-ethoxy-4-(propan-2-yloxy)phenyl]-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17312606
5-[(3,4-Dimethoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 2921825
4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
CID 3102210

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione (CID 4888956) is 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione is COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione?
The InChIKey is HSGIBEKALQPYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-23(2)10-13-18(14(27)11-23)17(12-7-8-15(30-5)16(9-12)31-6)19-20(24-13)25(3)22(29)26(4)21(19)28/h7-9,17,24H,10-11H2,1-6H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione?
5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione has a molecular weight of 425.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione is sourced from PubChem (CID 4888956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).