2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid

C11H9N3O2S — CID 163287315

IUPAC2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
SMILESNc1ncc2c(n1)-c1cc(C(=O)O)sc1CC2
InChIInChI=1S/C11H9N3O2S/c12-11-13-4-5-1-2-7-6(9(5)14-11)3-8(17-7)10(15)16/h3-4H,1-2H2,(H,15,16)(H2,12,13,14)
InChIKeyJOENDDXMDJJIAV-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.58
Rot. Bonds1

About 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid

2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid (PubChem CID 163287315) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
PubChem CID163287315
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
SMILESNc1ncc2c(n1)-c1cc(C(=O)O)sc1CC2
InChIInChI=1S/C11H9N3O2S/c12-11-13-4-5-1-2-7-6(9(5)14-11)3-8(17-7)10(15)16/h3-4H,1-2H2,(H,15,16)(H2,12,13,14)
InChIKeyJOENDDXMDJJIAV-UHFFFAOYSA-N
XLogP1.58
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
CID 163287283
2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carboxylic acid
CID 96597004
2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 151442239
2-amino-4-(4-chlorophenyl)pyrimidine-5-carboxylic acid
CID 75488589
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-2-(methylamino)-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxamide
CID 163287306
3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine
CID 142710262
12,14-dimethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
CID 91112295
5-(dimethylaminomethylidene)-4-oxo-6,7-dihydro-1-benzothiophene-2-carboxylic acid
CID 141116496
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
9-iodo-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-amine
CID 141303801
5,10-dihydro-4H-thieno[3,2-a]carbazole-2-carboxylic acid
CID 83985773

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
The IUPAC name of 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid (CID 163287315) is 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid.
What is the SMILES notation for 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
The canonical SMILES for 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid is Nc1ncc2c(n1)-c1cc(C(=O)O)sc1CC2.
What is the InChIKey of 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
The InChIKey is JOENDDXMDJJIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c12-11-13-4-5-1-2-7-6(9(5)14-11)3-8(17-7)10(15)16/h3-4H,1-2H2,(H,15,16)(H2,12,13,14).
What are the key properties of 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid?
2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid has a molecular weight of 247.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid is sourced from PubChem (CID 163287315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).