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

C19H24N2O2 — CID 92500350

IUPAC(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(CC(C)C)c(=O)c21
InChIInChI=1S/C19H24N2O2/c1-5-19(4)10-13-8-6-7-9-14(13)16-15(19)17(22)21(11-12(2)3)18(23)20-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyUNPGGJLVUFXSMD-LJQANCHMSA-N
MW312.41 g/mol
LogP3.08
Rot. Bonds3

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

(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione (PubChem CID 92500350) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
PubChem CID92500350
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
SMILESCC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(CC(C)C)c(=O)c21
InChIInChI=1S/C19H24N2O2/c1-5-19(4)10-13-8-6-7-9-14(13)16-15(19)17(22)21(11-12(2)3)18(23)20-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)/t19-/m1/s1
InChIKeyUNPGGJLVUFXSMD-LJQANCHMSA-N
XLogP3.08
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(5R)-5-ethyl-5-methyl-3-(2-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823784
(5R)-3-cyclohexyl-5-ethyl-5-methyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 26823715
5,5-diethyl-3-propyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897573
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
CID 702333
5-ethyl-5-methyl-2-(3-methylbutylsulfanyl)-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one
CID 3850798
12-benzyl-9-ethyl-9-methyl-16-sulfanylidene-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaen-11-one
CID 3763694
5,5-diethyl-3-(3-methylphenyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897631
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
3-cyclopentyl-5,5-dimethyl-1,6-dihydrobenzo[h]quinazoline-2,4-dione
CID 20897586
(5R)-5-ethyl-2-hydrazinyl-5-methyl-3-(2-phenylethyl)-6H-benzo[h]quinazolin-4-one
CID 7509543
5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one
CID 3732366
(9S)-9-ethyl-9-methyl-15-(2-methylpropyl)-13-prop-2-enylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-11-one
CID 51551192

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione (CID 92500350) is (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione is CC[C@]1(C)Cc2ccccc2-c2[nH]c(=O)n(CC(C)C)c(=O)c21.
What is the InChIKey of (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
The InChIKey is UNPGGJLVUFXSMD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-19(4)10-13-8-6-7-9-14(13)16-15(19)17(22)21(11-12(2)3)18(23)20-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)/t19-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione?
(5R)-5-ethyl-5-methyl-3-(2-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione has a molecular weight of 312.41 g/mol, XLogP of 3.08, 3 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-methylpropyl)-1,6-dihydrobenzo[h]quinazoline-2,4-dione is sourced from PubChem (CID 92500350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).