10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione

C23H23N3O2 — CID 85090321

IUPAC10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione
SMILESCc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1
InChIInChI=1S/C23H23N3O2/c1-14(2)13-19-24-22-20(21(27)17-7-5-6-8-18(17)25(22)4)23(28)26(19)16-11-9-15(3)10-12-16/h5-12,14H,13H2,1-4H3
InChIKeyFRTXYGKAPYWUDO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.74
Rot. Bonds3

About 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione

10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione (PubChem CID 85090321) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione.

Molecular Properties

Compound Name10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione
PubChem CID85090321
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione
SMILESCc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1
InChIInChI=1S/C23H23N3O2/c1-14(2)13-19-24-22-20(21(27)17-7-5-6-8-18(17)25(22)4)23(28)26(19)16-11-9-15(3)10-12-16/h5-12,14H,13H2,1-4H3
InChIKeyFRTXYGKAPYWUDO-UHFFFAOYSA-N
XLogP3.74
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.74
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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Related Compounds

Methaqualone
CID 6292
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
Arborine
CID 63123
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-[4-(dimethylamino)phenyl]-4(3H)-quinazolinone
CID 135460530
3-Phenyl-2-methylquinazolin-4-one
CID 63378
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
3-Methyl-N-[4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl)butanamide
CID 135401345
4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(3,3,3-trifluoro-2-oxopropyl)-
CID 63156
4(3H)-Quinazolinone, 2-methyl-3-(4-methylphenyl)-
CID 63219

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione?
The IUPAC name of 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione (CID 85090321) is 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione.
What is the SMILES notation for 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione?
The canonical SMILES for 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione is Cc1ccc(-n2c(CC(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1.
What is the InChIKey of 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione?
The InChIKey is FRTXYGKAPYWUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(2)13-19-24-22-20(21(27)17-7-5-6-8-18(17)25(22)4)23(28)26(19)16-11-9-15(3)10-12-16/h5-12,14H,13H2,1-4H3.
What are the key properties of 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione?
10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione has a molecular weight of 373.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(4-methylphenyl)-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione is sourced from PubChem (CID 85090321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).