2-chloro-7-hydroxyquinazoline-4-carbaldehyde

C9H5ClN2O2 — CID 136866588

IUPAC2-chloro-7-hydroxyquinazoline-4-carbaldehyde
SMILESO=Cc1nc(Cl)nc2cc(O)ccc12
InChIInChI=1S/C9H5ClN2O2/c10-9-11-7-3-5(14)1-2-6(7)8(4-13)12-9/h1-4,14H
InChIKeyXKLCCIDABJVJMM-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.80
Rot. Bonds1

About 2-chloro-7-hydroxyquinazoline-4-carbaldehyde

2-chloro-7-hydroxyquinazoline-4-carbaldehyde (PubChem CID 136866588) has the molecular formula C9H5ClN2O2 and a molecular weight of 208.60 g/mol. Its IUPAC name is 2-chloro-7-hydroxyquinazoline-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-hydroxyquinazoline-4-carbaldehyde
PubChem CID136866588
Molecular FormulaC9H5ClN2O2
Molecular Weight208.60 g/mol
Exact Mass208.00
IUPAC Name2-chloro-7-hydroxyquinazoline-4-carbaldehyde
SMILESO=Cc1nc(Cl)nc2cc(O)ccc12
InChIInChI=1S/C9H5ClN2O2/c10-9-11-7-3-5(14)1-2-6(7)8(4-13)12-9/h1-4,14H
InChIKeyXKLCCIDABJVJMM-UHFFFAOYSA-N
XLogP1.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-7-hydroxyquinazoline-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-hydroxyquinazoline-4-carbaldehyde?
The IUPAC name of 2-chloro-7-hydroxyquinazoline-4-carbaldehyde (CID 136866588) is 2-chloro-7-hydroxyquinazoline-4-carbaldehyde.
What is the SMILES notation for 2-chloro-7-hydroxyquinazoline-4-carbaldehyde?
The canonical SMILES for 2-chloro-7-hydroxyquinazoline-4-carbaldehyde is O=Cc1nc(Cl)nc2cc(O)ccc12.
What is the InChIKey of 2-chloro-7-hydroxyquinazoline-4-carbaldehyde?
The InChIKey is XKLCCIDABJVJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2/c10-9-11-7-3-5(14)1-2-6(7)8(4-13)12-9/h1-4,14H.
What are the key properties of 2-chloro-7-hydroxyquinazoline-4-carbaldehyde?
2-chloro-7-hydroxyquinazoline-4-carbaldehyde has a molecular weight of 208.60 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-hydroxyquinazoline-4-carbaldehyde is sourced from PubChem (CID 136866588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).