2-methyl-4-quinazolin-4-yloxyaniline

C15H13N3O — CID 60895454

IUPAC2-methyl-4-quinazolin-4-yloxyaniline
SMILESCc1cc(Oc2ncnc3ccccc23)ccc1N
InChIInChI=1S/C15H13N3O/c1-10-8-11(6-7-13(10)16)19-15-12-4-2-3-5-14(12)17-9-18-15/h2-9H,16H2,1H3
InChIKeyUVCFQWFPSAFUJK-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.31
Rot. Bonds2

About 2-methyl-4-quinazolin-4-yloxyaniline

2-methyl-4-quinazolin-4-yloxyaniline (PubChem CID 60895454) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-4-quinazolin-4-yloxyaniline.

Molecular Properties

Compound Name2-methyl-4-quinazolin-4-yloxyaniline
PubChem CID60895454
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-methyl-4-quinazolin-4-yloxyaniline
SMILESCc1cc(Oc2ncnc3ccccc23)ccc1N
InChIInChI=1S/C15H13N3O/c1-10-8-11(6-7-13(10)16)19-15-12-4-2-3-5-14(12)17-9-18-15/h2-9H,16H2,1H3
InChIKeyUVCFQWFPSAFUJK-UHFFFAOYSA-N
XLogP3.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-quinazolin-4-yloxyaniline?
The IUPAC name of 2-methyl-4-quinazolin-4-yloxyaniline (CID 60895454) is 2-methyl-4-quinazolin-4-yloxyaniline.
What is the SMILES notation for 2-methyl-4-quinazolin-4-yloxyaniline?
The canonical SMILES for 2-methyl-4-quinazolin-4-yloxyaniline is Cc1cc(Oc2ncnc3ccccc23)ccc1N.
What is the InChIKey of 2-methyl-4-quinazolin-4-yloxyaniline?
The InChIKey is UVCFQWFPSAFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-8-11(6-7-13(10)16)19-15-12-4-2-3-5-14(12)17-9-18-15/h2-9H,16H2,1H3.
What are the key properties of 2-methyl-4-quinazolin-4-yloxyaniline?
2-methyl-4-quinazolin-4-yloxyaniline has a molecular weight of 251.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-quinazolin-4-yloxyaniline is sourced from PubChem (CID 60895454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).