5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione

C23H24N2O2 — CID 20897631

IUPAC5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCCC1(CC)Cc2ccccc2-c2[nH]c(=O)n(-c3cccc(C)c3)c(=O)c21
InChIInChI=1S/C23H24N2O2/c1-4-23(5-2)14-16-10-6-7-12-18(16)20-19(23)21(26)25(22(27)24-20)17-11-8-9-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyIVEWPBBNXLTAPA-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.12
Rot. Bonds3

About 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione

5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 20897631) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID20897631
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCCC1(CC)Cc2ccccc2-c2[nH]c(=O)n(-c3cccc(C)c3)c(=O)c21
InChIInChI=1S/C23H24N2O2/c1-4-23(5-2)14-16-10-6-7-12-18(16)20-19(23)21(26)25(22(27)24-20)17-11-8-9-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyIVEWPBBNXLTAPA-UHFFFAOYSA-N
XLogP4.12
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897573
(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823784
3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897609
(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823715
(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 92500350
3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897586
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 4093447
3-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 90489792
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 90489789
3-(3-methylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82472009
3-(3-methylphenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931444

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 20897631) is 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CCC1(CC)Cc2ccccc2-c2[nH]c(=O)n(-c3cccc(C)c3)c(=O)c21.
What is the InChIKey of 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is IVEWPBBNXLTAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-4-23(5-2)14-16-10-6-7-12-18(16)20-19(23)21(26)25(22(27)24-20)17-11-8-9-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H,24,27).
What are the key properties of 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 360.46 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 20897631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).