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

C21H26N2O2 — CID 26823715

IUPAC(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(C3CCCCC3)c(=O)c21
InChIInChI=1S/C21H26N2O2/c1-3-21(2)13-14-9-7-8-12-16(14)18-17(21)19(24)23(20(25)22-18)15-10-5-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyAWCDKQCQUSRVSE-OAQYLSRUSA-N
MW338.45 g/mol
LogP3.93
Rot. Bonds2

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

(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 26823715) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID26823715
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(C3CCCCC3)c(=O)c21
InChIInChI=1S/C21H26N2O2/c1-3-21(2)13-14-9-7-8-12-16(14)18-17(21)19(24)23(20(25)22-18)15-10-5-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyAWCDKQCQUSRVSE-OAQYLSRUSA-N
XLogP3.93
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897586
(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823784
(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 92500350
5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897573
5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897631
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 702333
3-(4-bromophenyl)-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897609
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
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
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
3-(cyclopentylmethyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1212774
(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135761201

Frequently Asked Questions

What is the IUPAC name of (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 26823715) is (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(C3CCCCC3)c(=O)c21.
What is the InChIKey of (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is AWCDKQCQUSRVSE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-21(2)13-14-9-7-8-12-16(14)18-17(21)19(24)23(20(25)22-18)15-10-5-4-6-11-15/h7-9,12,15H,3-6,10-11,13H2,1-2H3,(H,22,25)/t21-/m1/s1.
What are the key properties of (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 338.45 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 26823715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).