(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one

C16H18N2OS — CID 135761201

IUPAC(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCC[C@]1(C)Cc2ccccc2-c2nc(SC)[nH]c(=O)c21
InChIInChI=1S/C16H18N2OS/c1-4-16(2)9-10-7-5-6-8-11(10)13-12(16)14(19)18-15(17-13)20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)/t16-/m1/s1
InChIKeyOHCQAKRPZNYICE-MRXNPFEDSA-N
MW286.40 g/mol
LogP3.38
Rot. Bonds2

About (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one

(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135761201) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135761201
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCC[C@]1(C)Cc2ccccc2-c2nc(SC)[nH]c(=O)c21
InChIInChI=1S/C16H18N2OS/c1-4-16(2)9-10-7-5-6-8-11(10)13-12(16)14(19)18-15(17-13)20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)/t16-/m1/s1
InChIKeyOHCQAKRPZNYICE-MRXNPFEDSA-N
XLogP3.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one with MolForge

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Related Compounds

5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135408917
2-(chloromethyl)-5-ethyl-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 163183586
(5R)-5-ethyl-2-(3-hydroxypropylamino)-5-methyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135843635
9,15-diethyl-9-methyl-13-methylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-11-one
CID 20896906
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-prop-2-ynylsulfanylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 135464578
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
(5R)-5-cyclohexyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135714927
2-[(5-cyclohexyl-5-ethyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 135431226
ethyl 2-[[(5R)-5-cyclohexyl-5-methyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetate
CID 135673916
5-ethyl-3-(2-hydroxyethyl)-5-methyl-2-phenyl-6H-benzo[h]quinazolin-4-one
CID 3732366
ethyl 2-[[(5S)-5-cyclohexyl-5-ethyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetate
CID 135832854

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135761201) is (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one is CC[C@]1(C)Cc2ccccc2-c2nc(SC)[nH]c(=O)c21.
What is the InChIKey of (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is OHCQAKRPZNYICE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-4-16(2)9-10-7-5-6-8-11(10)13-12(16)14(19)18-15(17-13)20-3/h5-8H,4,9H2,1-3H3,(H,17,18,19)/t16-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 286.40 g/mol, XLogP of 3.38, 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-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135761201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).