10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione

C24H25N3O2 — CID 118523629

IUPAC10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione
SMILESCC(C)Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C(C)C)nc21
InChIInChI=1S/C24H25N3O2/c1-15(2)14-26-19-13-9-8-12-18(19)21(28)20-23(26)25-22(16(3)4)27(24(20)29)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3
InChIKeyGISBHBWTJXZJHR-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.48
Rot. Bonds4

About 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione

10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione (PubChem CID 118523629) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione.

Molecular Properties

Compound Name10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione
PubChem CID118523629
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione
SMILESCC(C)Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C(C)C)nc21
InChIInChI=1S/C24H25N3O2/c1-15(2)14-26-19-13-9-8-12-18(19)21(28)20-23(26)25-22(16(3)4)27(24(20)29)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3
InChIKeyGISBHBWTJXZJHR-UHFFFAOYSA-N
XLogP4.48
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.48
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

10-(2-methylpropyl)acridin-9-one
CID 59742563
2-methyl-6-phenyl-5-propan-2-yl-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1(10),3(8),4-triene-7,9-dione
CID 130200323
10-methyl-2-pentyl-3-phenylpyrimido[4,5-b]quinoline-4,5-dione
CID 7678744
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
3-benzyl-2,10-dimethylpyrimido[4,5-b]quinoline-4,5-dione
CID 7646754
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974
4,11-diamino-2-phenylnaphtho[2,3-f]isoindole-1,3,5,10-tetrone;ethane;2-methylpropane
CID 158072742
3-benzyl-2-ethyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 7660271
3-(3,5-dimethylphenyl)-2,10-dimethylpyrimido[4,5-b]quinoline-4,5-dione
CID 7680420
3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
CID 135839900
2-ethyl-3-phenylthiochromeno[2,3-d]pyrimidine-4,5-dione
CID 4860361
3,19-diphenyl-3,19-diazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4,6,8,12,14,16,20,22,24-undecaene-10,26-dione
CID 146334080

Frequently Asked Questions

What is the IUPAC name of 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione?
The IUPAC name of 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione (CID 118523629) is 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione.
What is the SMILES notation for 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione?
The canonical SMILES for 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione is CC(C)Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(C(C)C)nc21.
What is the InChIKey of 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione?
The InChIKey is GISBHBWTJXZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15(2)14-26-19-13-9-8-12-18(19)21(28)20-23(26)25-22(16(3)4)27(24(20)29)17-10-6-5-7-11-17/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione?
10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione has a molecular weight of 387.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methylpropyl)-3-phenyl-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione is sourced from PubChem (CID 118523629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).