7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione

C26H27N3O3 — CID 58329378

IUPAC7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
SMILESCOc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCC(C)CC3)c12
InChIInChI=1S/C26H27N3O3/c1-16-10-12-18(13-11-16)28-24-20-8-5-9-22(32-3)23(20)27-15-21(24)25(30)29(26(28)31)19-7-4-6-17(2)14-19/h4-9,14-16,18H,10-13H2,1-3H3
InChIKeyRUKDKMBIZSFODD-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.77
Rot. Bonds3

About 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione

7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione (PubChem CID 58329378) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
PubChem CID58329378
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
SMILESCOc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCC(C)CC3)c12
InChIInChI=1S/C26H27N3O3/c1-16-10-12-18(13-11-16)28-24-20-8-5-9-22(32-3)23(20)27-15-21(24)25(30)29(26(28)31)19-7-4-6-17(2)14-19/h4-9,14-16,18H,10-13H2,1-3H3
InChIKeyRUKDKMBIZSFODD-UHFFFAOYSA-N
XLogP4.77
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
The IUPAC name of 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione (CID 58329378) is 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione.
What is the SMILES notation for 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
The canonical SMILES for 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione is COc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCC(C)CC3)c12.
What is the InChIKey of 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
The InChIKey is RUKDKMBIZSFODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-16-10-12-18(13-11-16)28-24-20-8-5-9-22(32-3)23(20)27-15-21(24)25(30)29(26(28)31)19-7-4-6-17(2)14-19/h4-9,14-16,18H,10-13H2,1-3H3.
What are the key properties of 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione?
7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione has a molecular weight of 429.52 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione is sourced from PubChem (CID 58329378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).