(2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate

C12H12N4O2 — CID 174691491

IUPAC(2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c1CCc1cnc(N)nc1-2
InChIInChI=1S/C12H12N4O2/c1-6(17)18-9-5-14-11-8(9)3-2-7-4-15-12(13)16-10(7)11/h4-5,14H,2-3H2,1H3,(H2,13,15,16)
InChIKeyXTHYRYBAUSZEOE-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.08
Rot. Bonds1

About (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate

(2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate (PubChem CID 174691491) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate.

Molecular Properties

Compound Name(2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate
PubChem CID174691491
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name(2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c1CCc1cnc(N)nc1-2
InChIInChI=1S/C12H12N4O2/c1-6(17)18-9-5-14-11-8(9)3-2-7-4-15-12(13)16-10(7)11/h4-5,14H,2-3H2,1H3,(H2,13,15,16)
InChIKeyXTHYRYBAUSZEOE-UHFFFAOYSA-N
XLogP1.08
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
CID 163287315
1-methyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-amine
CID 167015903
hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate
CID 174559146
ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate
CID 140517908
(2,4-diaminopyrimidin-5-yl)methyl 2-acetyloxybenzoate
CID 10266892
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine;hydrochloride
CID 166604055
methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate
CID 99991123
(5-amino-3-cyclopropylpyrazin-2-yl) acetate
CID 123646299
(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate
CID 177370355
8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride
CID 140536461
9-iodo-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
CID 141303801

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate?
The IUPAC name of (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate (CID 174691491) is (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate.
What is the SMILES notation for (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate?
The canonical SMILES for (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate is CC(=O)Oc1c[nH]c2c1CCc1cnc(N)nc1-2.
What is the InChIKey of (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate?
The InChIKey is XTHYRYBAUSZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-6(17)18-9-5-14-11-8(9)3-2-7-4-15-12(13)16-10(7)11/h4-5,14H,2-3H2,1H3,(H2,13,15,16).
What are the key properties of (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate?
(2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate has a molecular weight of 244.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate is sourced from PubChem (CID 174691491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).