(2,4-dichloroquinazolin-6-yl) acetate

C10H6Cl2N2O2 — CID 101166088

IUPAC(2,4-dichloroquinazolin-6-yl) acetate
SMILESCC(=O)Oc1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C10H6Cl2N2O2/c1-5(15)16-6-2-3-8-7(4-6)9(11)14-10(12)13-8/h2-4H,1H3
InChIKeyFSLXUENCQLTFTM-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.86
Rot. Bonds1

About (2,4-dichloroquinazolin-6-yl) acetate

(2,4-dichloroquinazolin-6-yl) acetate (PubChem CID 101166088) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is (2,4-dichloroquinazolin-6-yl) acetate.

Molecular Properties

Compound Name(2,4-dichloroquinazolin-6-yl) acetate
PubChem CID101166088
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name(2,4-dichloroquinazolin-6-yl) acetate
SMILESCC(=O)Oc1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C10H6Cl2N2O2/c1-5(15)16-6-2-3-8-7(4-6)9(11)14-10(12)13-8/h2-4H,1H3
InChIKeyFSLXUENCQLTFTM-UHFFFAOYSA-N
XLogP2.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichloroquinazolin-6-yl) carbonochloridate
CID 88765606
2-(2,4-dichloroquinazolin-6-yl)oxyacetamide
CID 59799617
(2-chloroquinolin-7-yl) acetate
CID 174716501
(2-chloro-6-methoxyquinolin-4-yl) acetate
CID 174389484
propan-2-yl 2,4-dichloroquinazoline-6-carboxylate
CID 135395749
(4-methylquinazolin-6-yl) acetate
CID 163492929
CID 67900504
CID 67900504
(3-formyl-2H-indazol-5-yl) acetate
CID 86682047
2-[4-(2,4-dichloroquinazolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide
CID 168867456
triphenylen-2-yl acetate;hydrochloride
CID 142787711
(4-chloro-3-hydroxyphenyl) acetate
CID 11052361
(2-methylquinolin-7-yl) acetate
CID 119085937

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloroquinazolin-6-yl) acetate?
The IUPAC name of (2,4-dichloroquinazolin-6-yl) acetate (CID 101166088) is (2,4-dichloroquinazolin-6-yl) acetate.
What is the SMILES notation for (2,4-dichloroquinazolin-6-yl) acetate?
The canonical SMILES for (2,4-dichloroquinazolin-6-yl) acetate is CC(=O)Oc1ccc2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of (2,4-dichloroquinazolin-6-yl) acetate?
The InChIKey is FSLXUENCQLTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c1-5(15)16-6-2-3-8-7(4-6)9(11)14-10(12)13-8/h2-4H,1H3.
What are the key properties of (2,4-dichloroquinazolin-6-yl) acetate?
(2,4-dichloroquinazolin-6-yl) acetate has a molecular weight of 257.08 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloroquinazolin-6-yl) acetate is sourced from PubChem (CID 101166088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).