2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid

C10H9Cl2N3O2 — CID 46780247

IUPAC2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid
SMILESNC1=Nc2ccc(Cl)c(Cl)c2CN1CC(=O)O
InChIInChI=1S/C10H9Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-15(4-8(16)17)10(13)14-7/h1-2H,3-4H2,(H2,13,14)(H,16,17)
InChIKeyLXLOZUWWCLJYGV-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.84
Rot. Bonds2

About 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid

2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid (PubChem CID 46780247) has the molecular formula C10H9Cl2N3O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid
PubChem CID46780247
Molecular FormulaC10H9Cl2N3O2
Molecular Weight274.11 g/mol
Exact Mass273.01
IUPAC Name2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid
SMILESNC1=Nc2ccc(Cl)c(Cl)c2CN1CC(=O)O
InChIInChI=1S/C10H9Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-15(4-8(16)17)10(13)14-7/h1-2H,3-4H2,(H2,13,14)(H,16,17)
InChIKeyLXLOZUWWCLJYGV-UHFFFAOYSA-N
XLogP1.84
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Anagrelide
CID 135409400
Anagrelide Hydrochloride
CID 135413494
Anagrelide Hydrochloride Hydrate
CID 135565321
6,7-Dichloro-3-hydroxy-1,5 dihydro-imidazo(2,1-b)quinazolin-2-one
CID 135424310
ethyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate;hydrobromide
CID 9999996
2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid;hydrochloride
CID 121229299
Ethyl 2-[5,6-dichloro-2-(cyanoamino)-4H-quinazolin-3-yl]acetate
CID 11077921
Anagrelide impurity 1
CID 9818697
2-amino-5,6-dichloro-3(4H)-Quinazolineacetic acid ethyl ester
CID 9999997
6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one chloride
CID 135860278
Tert-butyl 2-(2-amino-5,6-dichloroquinazolin-3(4H)-YL)acetate 2,2,2-trifluoroacetate
CID 170907148
2-(2-amino-5,6-dichloro-2,4-dihydro-1H-quinazolin-3-yl)propanoic acid;hydrochloride
CID 17986569

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid?
The IUPAC name of 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid (CID 46780247) is 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid?
The canonical SMILES for 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid is NC1=Nc2ccc(Cl)c(Cl)c2CN1CC(=O)O.
What is the InChIKey of 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid?
The InChIKey is LXLOZUWWCLJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-15(4-8(16)17)10(13)14-7/h1-2H,3-4H2,(H2,13,14)(H,16,17).
What are the key properties of 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid?
2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid has a molecular weight of 274.11 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid is sourced from PubChem (CID 46780247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).