5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione

C14H12ClN3O2 — CID 10469450

IUPAC5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccc2c(c1)c(Cl)c1c(=O)n(C)c(=O)nc-1n2C
InChIInChI=1S/C14H12ClN3O2/c1-7-4-5-9-8(6-7)11(15)10-12(17(9)2)16-14(20)18(3)13(10)19/h4-6H,1-3H3
InChIKeyUQYIDEHUCQFKDX-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.70
Rot. Bonds

About 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione

5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 10469450) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID10469450
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCc1ccc2c(c1)c(Cl)c1c(=O)n(C)c(=O)nc-1n2C
InChIInChI=1S/C14H12ClN3O2/c1-7-4-5-9-8(6-7)11(15)10-12(17(9)2)16-14(20)18(3)13(10)19/h4-6H,1-3H3
InChIKeyUQYIDEHUCQFKDX-UHFFFAOYSA-N
XLogP1.70
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-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

1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
8-chloro-3,7,10-trimethylbenzo[g]pteridine-2,4-dione
CID 625871
6,9-dimethyl-2H-pyrido[3,4-b]indol-3-one
CID 115027881
4-chloro-6-methoxy-1,3-dimethylquinolin-2-one
CID 171338243
3-chloro-1,7-dimethylquinoxalin-2-one
CID 13437029
8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 102354391
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
1,6-dimethylquinolin-4-one;ethane
CID 144950018
3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one
CID 110273245
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
1,2,3,4-tetrachloro-8-methylisoindolo[2,3-a]benzimidazol-11-one
CID 15404251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione (CID 10469450) is 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione is Cc1ccc2c(c1)c(Cl)c1c(=O)n(C)c(=O)nc-1n2C.
What is the InChIKey of 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is UQYIDEHUCQFKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-7-4-5-9-8(6-7)11(15)10-12(17(9)2)16-14(20)18(3)13(10)19/h4-6H,1-3H3.
What are the key properties of 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione?
5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 289.72 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,7,10-trimethylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 10469450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).