2-(4-aminoquinazolin-8-yl)acetic acid

C10H9N3O2 — CID 156877095

IUPAC2-(4-aminoquinazolin-8-yl)acetic acid
SMILESNc1ncnc2c(CC(=O)O)cccc12
InChIInChI=1S/C10H9N3O2/c11-10-7-3-1-2-6(4-8(14)15)9(7)12-5-13-10/h1-3,5H,4H2,(H,14,15)(H2,11,12,13)
InChIKeyBGPHGZWWKUZLNC-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.84
Rot. Bonds2

About 2-(4-aminoquinazolin-8-yl)acetic acid

2-(4-aminoquinazolin-8-yl)acetic acid (PubChem CID 156877095) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(4-aminoquinazolin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(4-aminoquinazolin-8-yl)acetic acid
PubChem CID156877095
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(4-aminoquinazolin-8-yl)acetic acid
SMILESNc1ncnc2c(CC(=O)O)cccc12
InChIInChI=1S/C10H9N3O2/c11-10-7-3-1-2-6(4-8(14)15)9(7)12-5-13-10/h1-3,5H,4H2,(H,14,15)(H2,11,12,13)
InChIKeyBGPHGZWWKUZLNC-UHFFFAOYSA-N
XLogP0.84
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
(2R,3R,4S)-1-[(4-aminoquinazolin-8-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 52949715
(4-aminoquinazolin-8-yl)-piperidin-1-ylmethanone
CID 175774339
2-(1-phenylisoquinolin-5-yl)acetic acid
CID 12851870
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
5-amino-1,6-naphthyridine-8-carboxylic acid
CID 73425151
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
2-(4-amino-5-methylthieno[2,3-d]pyrimidin-6-yl)acetic acid
CID 3064744
2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
CID 105476978

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoquinazolin-8-yl)acetic acid?
The IUPAC name of 2-(4-aminoquinazolin-8-yl)acetic acid (CID 156877095) is 2-(4-aminoquinazolin-8-yl)acetic acid.
What is the SMILES notation for 2-(4-aminoquinazolin-8-yl)acetic acid?
The canonical SMILES for 2-(4-aminoquinazolin-8-yl)acetic acid is Nc1ncnc2c(CC(=O)O)cccc12.
What is the InChIKey of 2-(4-aminoquinazolin-8-yl)acetic acid?
The InChIKey is BGPHGZWWKUZLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10-7-3-1-2-6(4-8(14)15)9(7)12-5-13-10/h1-3,5H,4H2,(H,14,15)(H2,11,12,13).
What are the key properties of 2-(4-aminoquinazolin-8-yl)acetic acid?
2-(4-aminoquinazolin-8-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoquinazolin-8-yl)acetic acid is sourced from PubChem (CID 156877095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).