10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione

C19H15N3O2 — CID 929592

IUPAC10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCn1c(=O)nc2n(Cc3ccccc3)c3ccccc3cc-2c1=O
InChIInChI=1S/C19H15N3O2/c1-21-18(23)15-11-14-9-5-6-10-16(14)22(17(15)20-19(21)24)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyBPEGGFUXZMLWNQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.25
Rot. Bonds2

About 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione

10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 929592) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID929592
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCn1c(=O)nc2n(Cc3ccccc3)c3ccccc3cc-2c1=O
InChIInChI=1S/C19H15N3O2/c1-21-18(23)15-11-14-9-5-6-10-16(14)22(17(15)20-19(21)24)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3
InChIKeyBPEGGFUXZMLWNQ-UHFFFAOYSA-N
XLogP2.25
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
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-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione (CID 929592) is 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione is Cn1c(=O)nc2n(Cc3ccccc3)c3ccccc3cc-2c1=O.
What is the InChIKey of 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is BPEGGFUXZMLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-21-18(23)15-11-14-9-5-6-10-16(14)22(17(15)20-19(21)24)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3.
What are the key properties of 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione?
10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3-methylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 929592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).