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

C22H22N2O2 — CID 26823784

IUPAC(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(-c3ccccc3C)c(=O)c21
InChIInChI=1S/C22H22N2O2/c1-4-22(3)13-15-10-6-7-11-16(15)19-18(22)20(25)24(21(26)23-19)17-12-8-5-9-14(17)2/h5-12H,4,13H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyXEVOHPXLJCBDQA-JOCHJYFZSA-N
MW346.43 g/mol
LogP3.73
Rot. Bonds2

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

(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 26823784) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID26823784
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(-c3ccccc3C)c(=O)c21
InChIInChI=1S/C22H22N2O2/c1-4-22(3)13-15-10-6-7-11-16(15)19-18(22)20(25)24(21(26)23-19)17-12-8-5-9-14(17)2/h5-12H,4,13H2,1-3H3,(H,23,26)/t22-/m1/s1
InChIKeyXEVOHPXLJCBDQA-JOCHJYFZSA-N
XLogP3.73
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione with MolForge

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Related Compounds

(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
5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897631
3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897609
5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897573
3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897586
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 702333
9-ethyl-9-methyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-11-one
CID 3842142
2-(chloromethyl)-5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 163183586
(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135761201
12-(2-methylphenyl)-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
CID 3552128
9-ethyl-9-methyl-16-thia-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,17-pentaen-11-one
CID 2904852

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 26823784) is (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(-c3ccccc3C)c(=O)c21.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is XEVOHPXLJCBDQA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-4-22(3)13-15-10-6-7-11-16(15)19-18(22)20(25)24(21(26)23-19)17-12-8-5-9-14(17)2/h5-12H,4,13H2,1-3H3,(H,23,26)/t22-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 26823784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).