4-chloro-N,N-dihydroxyquinazolin-6-amine

C8H6ClN3O2 — CID 89361818

IUPAC4-chloro-N,N-dihydroxyquinazolin-6-amine
SMILESON(O)c1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C8H6ClN3O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4,13-14H
InChIKeyUXTDASRRSHSCBF-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.87
Rot. Bonds1

About 4-chloro-N,N-dihydroxyquinazolin-6-amine

4-chloro-N,N-dihydroxyquinazolin-6-amine (PubChem CID 89361818) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 4-chloro-N,N-dihydroxyquinazolin-6-amine.

Molecular Properties

Compound Name4-chloro-N,N-dihydroxyquinazolin-6-amine
PubChem CID89361818
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name4-chloro-N,N-dihydroxyquinazolin-6-amine
SMILESON(O)c1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C8H6ClN3O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4,13-14H
InChIKeyUXTDASRRSHSCBF-UHFFFAOYSA-N
XLogP1.87
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dihydroxyquinazolin-6-amine?
The IUPAC name of 4-chloro-N,N-dihydroxyquinazolin-6-amine (CID 89361818) is 4-chloro-N,N-dihydroxyquinazolin-6-amine.
What is the SMILES notation for 4-chloro-N,N-dihydroxyquinazolin-6-amine?
The canonical SMILES for 4-chloro-N,N-dihydroxyquinazolin-6-amine is ON(O)c1ccc2ncnc(Cl)c2c1.
What is the InChIKey of 4-chloro-N,N-dihydroxyquinazolin-6-amine?
The InChIKey is UXTDASRRSHSCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4,13-14H.
What are the key properties of 4-chloro-N,N-dihydroxyquinazolin-6-amine?
4-chloro-N,N-dihydroxyquinazolin-6-amine has a molecular weight of 211.61 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dihydroxyquinazolin-6-amine is sourced from PubChem (CID 89361818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).