hydron;quinazolin-8-yl acetate

C10H9N2O2+ — CID 174628972

IUPAChydron;quinazolin-8-yl acetate
SMILESCC(=O)Oc1cccc2cncnc12.[H+]
InChIInChI=1S/C10H8N2O2/c1-7(13)14-9-4-2-3-8-5-11-6-12-10(8)9/h2-6H,1H3/p+1
InChIKeyYTIFDKJDEFQXRD-UHFFFAOYSA-O
MW189.19 g/mol
LogP1.67
Rot. Bonds1

About hydron;quinazolin-8-yl acetate

hydron;quinazolin-8-yl acetate (PubChem CID 174628972) has the molecular formula C10H9N2O2+ and a molecular weight of 189.19 g/mol. Its IUPAC name is hydron;quinazolin-8-yl acetate.

Molecular Properties

Compound Namehydron;quinazolin-8-yl acetate
PubChem CID174628972
Molecular FormulaC10H9N2O2+
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Namehydron;quinazolin-8-yl acetate
SMILESCC(=O)Oc1cccc2cncnc12.[H+]
InChIInChI=1S/C10H8N2O2/c1-7(13)14-9-4-2-3-8-5-11-6-12-10(8)9/h2-6H,1H3/p+1
InChIKeyYTIFDKJDEFQXRD-UHFFFAOYSA-O
XLogP1.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.67
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

1-quinazolin-8-ylethanone
CID 133054945
(9-acetyloxyphenazin-1-yl) acetate
CID 611384
methyl 3-quinazolin-8-yloxycyclobutane-1-carboxylate
CID 139369178
hydron;5H-pyrrolo[3,2-d]pyrimidin-7-yl acetate
CID 174559146
(4-chloropyrimidin-5-yl) acetate
CID 87174984
(4-chloroquinolin-8-yl) acetate
CID 175576508
(2-propan-2-ylquinolin-8-yl) acetate
CID 134285695
(6-methylphenazin-1-yl) acetate
CID 610919
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
quinazoline-8-sulfinic acid
CID 57009090
difluoro-methyl-quinazolin-8-yl-λ4-sulfane
CID 170784627
8-(disulfanyl)quinazoline
CID 90111320

Frequently Asked Questions

What is the IUPAC name of hydron;quinazolin-8-yl acetate?
The IUPAC name of hydron;quinazolin-8-yl acetate (CID 174628972) is hydron;quinazolin-8-yl acetate.
What is the SMILES notation for hydron;quinazolin-8-yl acetate?
The canonical SMILES for hydron;quinazolin-8-yl acetate is CC(=O)Oc1cccc2cncnc12.[H+].
What is the InChIKey of hydron;quinazolin-8-yl acetate?
The InChIKey is YTIFDKJDEFQXRD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8N2O2/c1-7(13)14-9-4-2-3-8-5-11-6-12-10(8)9/h2-6H,1H3/p+1.
What are the key properties of hydron;quinazolin-8-yl acetate?
hydron;quinazolin-8-yl acetate has a molecular weight of 189.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;quinazolin-8-yl acetate is sourced from PubChem (CID 174628972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).