10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione

C23H23N3O2 — CID 7678744

IUPAC10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione
SMILESCCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-3-4-6-15-19-24-22-20(23(28)26(19)16-11-7-5-8-12-16)21(27)17-13-9-10-14-18(17)25(22)2/h5,7-14H,3-4,6,15H2,1-2H3
InChIKeyAFLBQLGPVYRZJR-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.97
Rot. Bonds5

About 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione

10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione (PubChem CID 7678744) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione.

Molecular Properties

Compound Name10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione
PubChem CID7678744
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione
SMILESCCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-3-4-6-15-19-24-22-20(23(28)26(19)16-11-7-5-8-12-16)21(27)17-13-9-10-14-18(17)25(22)2/h5,7-14H,3-4,6,15H2,1-2H3
InChIKeyAFLBQLGPVYRZJR-UHFFFAOYSA-N
XLogP3.97
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione?
The IUPAC name of 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione (CID 7678744) is 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione.
What is the SMILES notation for 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione?
The canonical SMILES for 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione is CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1.
What is the InChIKey of 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione?
The InChIKey is AFLBQLGPVYRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-4-6-15-19-24-22-20(23(28)26(19)16-11-7-5-8-12-16)21(27)17-13-9-10-14-18(17)25(22)2/h5,7-14H,3-4,6,15H2,1-2H3.
What are the key properties of 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione?
10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione has a molecular weight of 373.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione is sourced from PubChem (CID 7678744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).