10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione

C18H13N3O3 — CID 5048882

IUPAC10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCOc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)cc1
InChIInChI=1S/C18H13N3O3/c1-24-13-8-6-12(7-9-13)21-15-5-3-2-4-11(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H,20,22,23)
InChIKeyKUIDOQMVIDJHLB-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.19
Rot. Bonds2

About 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione

10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 5048882) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID5048882
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione
SMILESCOc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)cc1
InChIInChI=1S/C18H13N3O3/c1-24-13-8-6-12(7-9-13)21-15-5-3-2-4-11(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H,20,22,23)
InChIKeyKUIDOQMVIDJHLB-UHFFFAOYSA-N
XLogP2.19
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione (CID 5048882) is 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione is COc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is KUIDOQMVIDJHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-24-13-8-6-12(7-9-13)21-15-5-3-2-4-11(15)10-14-16(21)19-18(23)20-17(14)22/h2-10H,1H3,(H,20,22,23).
What are the key properties of 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione?
10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 319.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 5048882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).