5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one

C18H22N2OS — CID 135408917

IUPAC5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCCSc1nc2c(c(=O)[nH]1)C(C)(CC)Cc1ccccc1-2
InChIInChI=1S/C18H22N2OS/c1-4-10-22-17-19-15-13-9-7-6-8-12(13)11-18(3,5-2)14(15)16(21)20-17/h6-9H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyDBIFJSUGQSVQGV-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.16
Rot. Bonds4

About 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one

5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one (PubChem CID 135408917) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
PubChem CID135408917
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
SMILESCCCSc1nc2c(c(=O)[nH]1)C(C)(CC)Cc1ccccc1-2
InChIInChI=1S/C18H22N2OS/c1-4-10-22-17-19-15-13-9-7-6-8-12(13)11-18(3,5-2)14(15)16(21)20-17/h6-9H,4-5,10-11H2,1-3H3,(H,19,20,21)
InChIKeyDBIFJSUGQSVQGV-UHFFFAOYSA-N
XLogP4.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(5R)-5-ethyl-5-methyl-2-methylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135761201
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-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
5-ethyl-2-hexylsulfanyl-5-methyl-3-phenyl-6H-benzo[h]quinazolin-4-one
CID 4313775
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
2-prop-2-ynylsulfanylspiro[3,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 135464578
(5R)-5-cyclohexyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3,6-dihydrobenzo[h]quinazolin-4-one
CID 135714927
(9R)-13-butylsulfanyl-9-ethyl-9,15-dimethyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-11-one
CID 51551128
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
(9S)-15-butyl-9-ethyl-13-ethylsulfanyl-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 51551075

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one (CID 135408917) is 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one is CCCSc1nc2c(c(=O)[nH]1)C(C)(CC)Cc1ccccc1-2.
What is the InChIKey of 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
The InChIKey is DBIFJSUGQSVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-4-10-22-17-19-15-13-9-7-6-8-12(13)11-18(3,5-2)14(15)16(21)20-17/h6-9H,4-5,10-11H2,1-3H3,(H,19,20,21).
What are the key properties of 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one?
5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one has a molecular weight of 314.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-propylsulfanyl-3,6-dihydrobenzo[h]quinazolin-4-one is sourced from PubChem (CID 135408917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).