(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one

C18H17N3O2S — CID 136911540

IUPAC(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
SMILESCOc1ccc(SC[C@H]2CNc3nc4ccccc4c(=O)n32)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-13-6-8-14(9-7-13)24-11-12-10-19-18-20-16-5-3-2-4-15(16)17(22)21(12)18/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyPFHCWOIRNRRKEG-GFCCVEGCSA-N
MW339.42 g/mol
LogP3.16
Rot. Bonds4

About (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one

(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one (PubChem CID 136911540) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
PubChem CID136911540
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
SMILESCOc1ccc(SC[C@H]2CNc3nc4ccccc4c(=O)n32)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-13-6-8-14(9-7-13)24-11-12-10-19-18-20-16-5-3-2-4-15(16)17(22)21(12)18/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyPFHCWOIRNRRKEG-GFCCVEGCSA-N
XLogP3.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one with MolForge

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Related Compounds

3-(phenylsulfanylmethyl)-2,5,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-8-one
CID 137176278
(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1474960
3-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 16578648
3-cyclopentyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]quinazolin-4-one
CID 7988426
(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
CID 100923623
(1R)-1-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
CID 71497850
2-(4-methoxyphenyl)sulfanyl-3,1-benzoxazin-4-one
CID 155188011
2-(4-methoxyphenyl)sulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylacetamide
CID 137306021
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
2-cyclopentylsulfanyl-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 60620109
3-[(4-methoxyphenyl)methyl]-2-(2-phenylethylsulfanyl)quinazolin-4-one
CID 51365408
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
The IUPAC name of (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one (CID 136911540) is (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one is COc1ccc(SC[C@H]2CNc3nc4ccccc4c(=O)n32)cc1.
What is the InChIKey of (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
The InChIKey is PFHCWOIRNRRKEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-13-6-8-14(9-7-13)24-11-12-10-19-18-20-16-5-3-2-4-15(16)17(22)21(12)18/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
(3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one has a molecular weight of 339.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methoxyphenyl)sulfanylmethyl]-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 136911540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).