2-(2-chlorophenyl)-4-undecylquinazolin-6-ol

C25H31ClN2O — CID 86256332

IUPAC2-(2-chlorophenyl)-4-undecylquinazolin-6-ol
SMILESCCCCCCCCCCCc1nc(-c2ccccc2Cl)nc2ccc(O)cc12
InChIInChI=1S/C25H31ClN2O/c1-2-3-4-5-6-7-8-9-10-15-23-21-18-19(29)16-17-24(21)28-25(27-23)20-13-11-12-14-22(20)26/h11-14,16-18,29H,2-10,15H2,1H3
InChIKeyAERPVOJLYKBUCL-UHFFFAOYSA-N
MW410.99 g/mol
LogP7.73
Rot. Bonds11

About 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol

2-(2-chlorophenyl)-4-undecylquinazolin-6-ol (PubChem CID 86256332) has the molecular formula C25H31ClN2O and a molecular weight of 410.99 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-undecylquinazolin-6-ol
PubChem CID86256332
Molecular FormulaC25H31ClN2O
Molecular Weight410.99 g/mol
Exact Mass410.21
IUPAC Name2-(2-chlorophenyl)-4-undecylquinazolin-6-ol
SMILESCCCCCCCCCCCc1nc(-c2ccccc2Cl)nc2ccc(O)cc12
InChIInChI=1S/C25H31ClN2O/c1-2-3-4-5-6-7-8-9-10-15-23-21-18-19(29)16-17-24(21)28-25(27-23)20-13-11-12-14-22(20)26/h11-14,16-18,29H,2-10,15H2,1H3
InChIKeyAERPVOJLYKBUCL-UHFFFAOYSA-N
XLogP7.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.99
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-pentyl-2-phenylquinazoline
CID 122226497
4-chloro-2-(2-chlorophenyl)-6-propylquinazoline
CID 114590720
4-chloro-2-decylquinoline
CID 171487257
2-(2-chloro-4-hexylphenyl)-5-(2-chlorophenyl)benzene-1,4-diol
CID 16741909
4-chloro-2,3-didecylquinoline
CID 141080010
2-chloro-4-pentadecylquinoline
CID 3679887
2-(2-chlorophenyl)-4-ethoxyquinazoline
CID 914488
4-chloro-2-(2-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66294183
4-(2-chlorophenyl)-2-pentyl-1,3-thiazole-5-carboxylic acid
CID 22437363
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
N-butan-2-yl-2-(2-chlorophenyl)quinazolin-4-amine
CID 23796400

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol?
The IUPAC name of 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol (CID 86256332) is 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol?
The canonical SMILES for 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol is CCCCCCCCCCCc1nc(-c2ccccc2Cl)nc2ccc(O)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol?
The InChIKey is AERPVOJLYKBUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O/c1-2-3-4-5-6-7-8-9-10-15-23-21-18-19(29)16-17-24(21)28-25(27-23)20-13-11-12-14-22(20)26/h11-14,16-18,29H,2-10,15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol?
2-(2-chlorophenyl)-4-undecylquinazolin-6-ol has a molecular weight of 410.99 g/mol, XLogP of 7.73, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-undecylquinazolin-6-ol is sourced from PubChem (CID 86256332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).