(9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate

C14H13N3O2S — CID 174776346

IUPAC(9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate
SMILESCSc1ncc2ccc3c(OC(C)=O)cn(C)c3c2n1
InChIInChI=1S/C14H13N3O2S/c1-8(18)19-11-7-17(2)13-10(11)5-4-9-6-15-14(20-3)16-12(9)13/h4-7H,1-3H3
InChIKeyHZFUUHOXZHJWDG-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.77
Rot. Bonds2

About (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate

(9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate (PubChem CID 174776346) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate.

Molecular Properties

Compound Name(9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate
PubChem CID174776346
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name(9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate
SMILESCSc1ncc2ccc3c(OC(C)=O)cn(C)c3c2n1
InChIInChI=1S/C14H13N3O2S/c1-8(18)19-11-7-17(2)13-10(11)5-4-9-6-15-14(20-3)16-12(9)13/h4-7H,1-3H3
InChIKeyHZFUUHOXZHJWDG-UHFFFAOYSA-N
XLogP2.77
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Amino-9-methyl-8-phenylpyrrolo[3,2-h]quinazolin-7-yl) carbamate
CID 89611422
(2-amino-8-phenyl-9H-pyrrolo[3,2-h]quinazolin-7-yl) carbamate
CID 89611431
2-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylethanamine
CID 141110917
3-(1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 141110980
[7-Methyl-4-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-5-yl] acetate
CID 156771350
(2-methylsulfanyl-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate
CID 174776286
Tert-butyl 4-(7-acetyloxy-2-methylsulfanylpyrrolo[3,2-h]quinazolin-9-yl)piperidine-1-carboxylate
CID 174776344
Tert-butyl 4-(7-acetyloxy-2-methylsulfanyl-5,6-dihydropyrrolo[3,2-h]quinazolin-9-yl)piperidine-1-carboxylate
CID 174776354
(2-Methylsulfanyl-9-piperidin-4-yl-5,6-dihydropyrrolo[3,2-h]quinazolin-7-yl) acetate;hydrochloride
CID 174776362
(8-iodo-2-methylsulfanyl-9H-pyrrolo[3,2-h]quinazolin-7-yl) acetate
CID 175293807
(1-Benzylimidazo[4,5-c]quinolin-4-yl) acetate
CID 10245275
(4-Acetyloxy-1-benzyl-7-methylimidazo[4,5-g]quinolin-9-yl) acetate
CID 11395143

Frequently Asked Questions

What is the IUPAC name of (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate?
The IUPAC name of (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate (CID 174776346) is (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate.
What is the SMILES notation for (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate?
The canonical SMILES for (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate is CSc1ncc2ccc3c(OC(C)=O)cn(C)c3c2n1.
What is the InChIKey of (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate?
The InChIKey is HZFUUHOXZHJWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8(18)19-11-7-17(2)13-10(11)5-4-9-6-15-14(20-3)16-12(9)13/h4-7H,1-3H3.
What are the key properties of (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate?
(9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate has a molecular weight of 287.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-2-methylsulfanylpyrrolo[3,2-h]quinazolin-7-yl) acetate is sourced from PubChem (CID 174776346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).