3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol

C17H15Cl2N3O — CID 21491344

IUPAC3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C17H15Cl2N3O/c18-13-7-6-11(10-14(13)19)16-21-15-5-2-1-4-12(15)17(22-16)20-8-3-9-23/h1-2,4-7,10,23H,3,8-9H2,(H,20,21,22)
InChIKeyVYDZYLDQPRANNZ-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.40
Rot. Bonds5

About 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol

3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol (PubChem CID 21491344) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
PubChem CID21491344
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C17H15Cl2N3O/c18-13-7-6-11(10-14(13)19)16-21-15-5-2-1-4-12(15)17(22-16)20-8-3-9-23/h1-2,4-7,10,23H,3,8-9H2,(H,20,21,22)
InChIKeyVYDZYLDQPRANNZ-UHFFFAOYSA-N
XLogP4.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol 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 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol (CID 21491344) is 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol is OCCCNc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol?
The InChIKey is VYDZYLDQPRANNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-13-7-6-11(10-14(13)19)16-21-15-5-2-1-4-12(15)17(22-16)20-8-3-9-23/h1-2,4-7,10,23H,3,8-9H2,(H,20,21,22).
What are the key properties of 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol?
3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol has a molecular weight of 348.23 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dichlorophenyl)quinazolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 21491344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).