4-[(4-chlorophenyl)methoxy]quinazolin-6-amine

C15H12ClN3O — CID 65126778

IUPAC4-[(4-chlorophenyl)methoxy]quinazolin-6-amine
SMILESNc1ccc2ncnc(OCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H12ClN3O/c16-11-3-1-10(2-4-11)8-20-15-13-7-12(17)5-6-14(13)18-9-19-15/h1-7,9H,8,17H2
InChIKeyQZCQSOFUOIKFSC-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.44
Rot. Bonds3

About 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine

4-[(4-chlorophenyl)methoxy]quinazolin-6-amine (PubChem CID 65126778) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]quinazolin-6-amine
PubChem CID65126778
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-[(4-chlorophenyl)methoxy]quinazolin-6-amine
SMILESNc1ccc2ncnc(OCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C15H12ClN3O/c16-11-3-1-10(2-4-11)8-20-15-13-7-12(17)5-6-14(13)18-9-19-15/h1-7,9H,8,17H2
InChIKeyQZCQSOFUOIKFSC-UHFFFAOYSA-N
XLogP3.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine 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-[(4-chlorophenyl)methoxy]quinazoline
CID 55327565
4-propoxyquinazolin-6-amine
CID 64587338
4-(2-methylpropoxy)quinazolin-6-amine
CID 64590117
4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine
CID 104559985
4-chloro-6-[(4-chlorophenyl)methoxy]-5-methylpyrimidine
CID 65126013
5-bromo-6-[(4-chlorophenyl)methoxy]pyridin-3-amine
CID 79534403
4-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]aniline
CID 79727542
4-(2-chloro-4-fluorophenoxy)quinazolin-6-amine
CID 64587942
6-(1-chloroisoquinolin-4-yl)-4-phenylmethoxyquinazoline
CID 86039242
4-[(4-chlorophenyl)methylsulfanyl]quinazolin-7-amine
CID 114790237
4-N-[3-chloro-4-(pyridin-4-ylmethoxy)phenyl]quinazoline-4,6-diamine
CID 69221072
4-(oxolan-2-ylmethoxy)quinazolin-6-amine
CID 64590316

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine (CID 65126778) is 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine is Nc1ccc2ncnc(OCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine?
The InChIKey is QZCQSOFUOIKFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-11-3-1-10(2-4-11)8-20-15-13-7-12(17)5-6-14(13)18-9-19-15/h1-7,9H,8,17H2.
What are the key properties of 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine?
4-[(4-chlorophenyl)methoxy]quinazolin-6-amine has a molecular weight of 285.73 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]quinazolin-6-amine is sourced from PubChem (CID 65126778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).