4-methyl-2-(quinazolin-4-ylamino)phenol

C15H13N3O — CID 725411

IUPAC4-methyl-2-(quinazolin-4-ylamino)phenol
SMILESCc1ccc(O)c(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3O/c1-10-6-7-14(19)13(8-10)18-15-11-4-2-3-5-12(11)16-9-17-15/h2-9,19H,1H3,(H,16,17,18)
InChIKeyJKORROIDGFSSPD-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.39
Rot. Bonds2

About 4-methyl-2-(quinazolin-4-ylamino)phenol

4-methyl-2-(quinazolin-4-ylamino)phenol (PubChem CID 725411) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methyl-2-(quinazolin-4-ylamino)phenol.

Molecular Properties

Compound Name4-methyl-2-(quinazolin-4-ylamino)phenol
PubChem CID725411
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-methyl-2-(quinazolin-4-ylamino)phenol
SMILESCc1ccc(O)c(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C15H13N3O/c1-10-6-7-14(19)13(8-10)18-15-11-4-2-3-5-12(11)16-9-17-15/h2-9,19H,1H3,(H,16,17,18)
InChIKeyJKORROIDGFSSPD-UHFFFAOYSA-N
XLogP3.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(quinazolin-4-ylamino)phenol?
The IUPAC name of 4-methyl-2-(quinazolin-4-ylamino)phenol (CID 725411) is 4-methyl-2-(quinazolin-4-ylamino)phenol.
What is the SMILES notation for 4-methyl-2-(quinazolin-4-ylamino)phenol?
The canonical SMILES for 4-methyl-2-(quinazolin-4-ylamino)phenol is Cc1ccc(O)c(Nc2ncnc3ccccc23)c1.
What is the InChIKey of 4-methyl-2-(quinazolin-4-ylamino)phenol?
The InChIKey is JKORROIDGFSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-6-7-14(19)13(8-10)18-15-11-4-2-3-5-12(11)16-9-17-15/h2-9,19H,1H3,(H,16,17,18).
What are the key properties of 4-methyl-2-(quinazolin-4-ylamino)phenol?
4-methyl-2-(quinazolin-4-ylamino)phenol has a molecular weight of 251.29 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(quinazolin-4-ylamino)phenol is sourced from PubChem (CID 725411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).