10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione

C24H25N3O5 — CID 2034555

IUPAC10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione
SMILESCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O
InChIInChI=1S/C24H25N3O5/c1-6-11-27-22(14-12-17(30-3)21(32-5)18(13-14)31-4)25-23-19(24(27)29)20(28)15-9-7-8-10-16(15)26(23)2/h7-10,12-13H,6,11H2,1-5H3
InChIKeyCHRKBUZXWDDVIR-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.35
Rot. Bonds6

About 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione

10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione (PubChem CID 2034555) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione.

Molecular Properties

Compound Name10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione
PubChem CID2034555
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione
SMILESCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O
InChIInChI=1S/C24H25N3O5/c1-6-11-27-22(14-12-17(30-3)21(32-5)18(13-14)31-4)25-23-19(24(27)29)20(28)15-9-7-8-10-16(15)26(23)2/h7-10,12-13H,6,11H2,1-5H3
InChIKeyCHRKBUZXWDDVIR-UHFFFAOYSA-N
XLogP3.35
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-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

10-methyl-2-phenyl-3-propylpyrimido[4,5-b]quinoline-4,5-dione
CID 4894058
10-methyl-2-(4-methylphenyl)-3-(2-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 2032213
3-benzyl-2,10-dimethylpyrimido[4,5-b]quinoline-4,5-dione
CID 7646754
3-benzyl-2-ethyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 7660271
2-ethyl-10-methyl-3-(2-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 7677353
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
11-(3,4,5-trimethoxyphenyl)-14-thia-3,10,12-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4908771
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
CID 5281832
3-(3,5-dimethylphenyl)-2,10-dimethylpyrimido[4,5-b]quinoline-4,5-dione
CID 7680420
2-cyclohexyl-10-methyl-3-pentylpyrimido[4,5-b]quinoline-4,5-dione
CID 4975526
3-benzyl-10-methyl-2-thiophen-2-ylpyrimido[4,5-b]quinoline-4,5-dione
CID 4911418
14-methyl-11-phenyl-3,10,12,14-tetrazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-one
CID 4910195

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione?
The IUPAC name of 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione (CID 2034555) is 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione.
What is the SMILES notation for 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione?
The canonical SMILES for 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione is CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O.
What is the InChIKey of 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione?
The InChIKey is CHRKBUZXWDDVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-6-11-27-22(14-12-17(30-3)21(32-5)18(13-14)31-4)25-23-19(24(27)29)20(28)15-9-7-8-10-16(15)26(23)2/h7-10,12-13H,6,11H2,1-5H3.
What are the key properties of 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione?
10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione has a molecular weight of 435.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-propyl-2-(3,4,5-trimethoxyphenyl)pyrimido[4,5-b]quinoline-4,5-dione is sourced from PubChem (CID 2034555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).